天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 98556-31-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 98556-31-1
Chemical Structure| 98556-31-1
Structure of 98556-31-1 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 98556-31-1 ]

Related Doc. of [ 98556-31-1 ]

Alternatived Products of [ 98556-31-1 ]
Product Citations

Product Details of [ 98556-31-1 ]

CAS No. :98556-31-1 MDL No. :MFCD01862193
Formula : C8H4ClIN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :BDAIUOPDSRAOKI-UHFFFAOYSA-N
M.W : 290.49 Pubchem ID :11173809
Synonyms :

Calculated chemistry of [ 98556-31-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 57.27
TPSA : 25.78 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.84 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.26
Log Po/w (XLOGP3) : 3.15
Log Po/w (WLOGP) : 2.89
Log Po/w (MLOGP) : 2.72
Log Po/w (SILICOS-IT) : 3.54
Consensus Log Po/w : 2.91

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.24
Solubility : 0.0166 mg/ml ; 0.0000573 mol/l
Class : Moderately soluble
Log S (Ali) : -3.36
Solubility : 0.126 mg/ml ; 0.000435 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.89
Solubility : 0.00377 mg/ml ; 0.000013 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.8

Safety of [ 98556-31-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 98556-31-1 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 98556-31-1 ]

[ 98556-31-1 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 168268-00-6 ]
  • [ 98556-31-1 ]
  • [ 231278-23-2 ]
  • 2
  • [ 98556-31-1 ]
  • [ 70338-47-5 ]
  • [ 231278-27-6 ]
YieldReaction ConditionsOperation in experiment
76% In isopropyl alcohol; for 3.5h;Reflux; 6-Iodo-(4-benzyloxy-3-trifluoromethyl-phenyl)-quinazolin-4-yl)amine (0648) The mixture of 4-chloro-6-iodo-quinazoline (366 mg, 1.26 mmol) and 4-O-benzyl-3-trifluoroaniline (405 mg, 1.26 mmol) in isopropanol (12 ml) was heated to reflux for 3.5 hours. Filtered, washed with isopropanol and dried. 535 mg yellow solid was afforded. (yield: 76%). ESI-MS m/z 522 (M+H)+.
  • 3
  • [ 299465-16-0 ]
  • [ 98556-31-1 ]
  • 6-iodo-4-[5-(3,4,5-trimethoxy-phenyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-quinazoline [ No CAS ]
  • 4
  • [ 98556-31-1 ]
  • [ 107-03-9 ]
  • 6-iodo-4-propylsulfanyl-quinazoline [ No CAS ]
  • 5
  • [ 98556-31-1 ]
  • [ 870-23-5 ]
  • 4-allylsulfanyl-6-iodo-quinazoline [ No CAS ]
  • 6
  • [ 98556-31-1 ]
  • [ 109-79-5 ]
  • 4-butylsulfanyl-6-iodo-quinazoline [ No CAS ]
  • 7
  • [ 98556-31-1 ]
  • [ 23269-92-3 ]
  • 6-iodo-4-[5-(3,4,5-trimethoxy-phenyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-quinazoline [ No CAS ]
  • 8
  • [ 98556-31-1 ]
  • [ 75-08-1 ]
  • 4-ethylsulfanyl-6-iodo-quinazoline [ No CAS ]
  • 9
  • [ 98556-31-1 ]
  • [ 202197-25-9 ]
  • [ 231278-20-9 ]
YieldReaction ConditionsOperation in experiment
Stage 1: Preparation of N-{3-chloro-4-[(3-fluorobenzyl)oxy]phenyl}-6- iodo-4-quinazolinamine 4-Chloro-6-iodoquinazoline (1wt) was added to a solution of fluorobenzyloxyaniline (0.894wt, 1.03equiv) in N-methylpyrrolidinone (8.26wt, 8vol) at ca 20C, and after the initial exotherm had subsided, the resulting solution was stirred at 20-25C for at least 30 minutes. The dark solution was treated with triethylamine (0.58vol, 1.2equiv) and the mixture was stirred for 20-30 minutes. Isopropanol (2.5vol) was added and the mixture was heated to ca 50C. Water (up to 3vol) was added slowly to the vessel over 10-15 minutes, while keeping the temperature at ca 50C. Once crystallisation had commenced the addition was stopped and the resulting slurry was aged for 30-45 minutes at ca 50C. Any residual water (from the 3vol) was added, then further water (5vol) was added to the vessel over ca 30 minutes while maintaining the temperature at ca 50C. The resulting slurry was cooled to ca 20C over ca 30 minutes and aged at ca 20C for at least 30 minutes. The solid was collected by filtration and washed sequentially with water (2 x 5vol), then isopropanol (5vol). The product was dried in vacuo at ca 60C to give the title compound as a cream crystalline solid.
  • 10
  • [ 1123-93-9 ]
  • [ 98556-31-1 ]
  • N-1,3-benzothiazol-5-yl-6-iodo-4-quinazolinamine [ No CAS ]
YieldReaction ConditionsOperation in experiment
91% In isopropyl alcohol; at 20℃; for 0.5h; To a solution of 4-chloro-6-iodoquinazoline (2.60 g, 8.95 mmol) in isopropanol (60 mL) was added <strong>[1123-93-9]1,3-benzothiazol-5-amine</strong> (1.479 g, 9.85 mmol). The mixture was then placed in oil bath10 preheated to 90°C. The reaction was complete in 30 min., and the solution was allowed tocool to room temperature. A yellow solid precipitated and was filtered and dried toprovide 3.6 g (91 percent) of the title compound.
91% In isopropyl alcohol; at 90℃; for 0.5h; N-1,3-benzothiazol-5-yl-6-iodo-4-quinazolinamine To a solution of 4-chloro-6-iodoquinazoline (2.60 g, 8.95 mmol) in isopropanol (60 mL) was added <strong>[1123-93-9]1,3-benzothiazol-5-amine</strong> (1.479 g, 9.85 mmol). The mixture was then placed in oil bath preheated to 90°C. The reaction was complete in 30 min., and the solution was allowed to cool to room temperature. A yellow solid precipitated and was filtered and dried to provide 3.6 g (91 percent) of the title compound. The following intermediate, N-(5-fluoro-1H-indazol-3-yl)-6-iodo-4-quinazolinamine, was made in the same manner:
  • 11
  • [ 537705-06-9 ]
  • [ 98556-31-1 ]
  • [ 383432-38-0 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 98556-31-1 ]

Chlorides

Chemical Structure| 90272-83-6

[ 90272-83-6 ]

4-Chloro-7-methylquinazoline

Similarity: 0.84

Chemical Structure| 6484-24-8

[ 6484-24-8 ]

4-Chloro-2-methylquinazoline

Similarity: 0.79

Chemical Structure| 38267-96-8

[ 38267-96-8 ]

6-Bromo-4-chloroquinazoline

Similarity: 0.77

Chemical Structure| 39576-82-4

[ 39576-82-4 ]

2,4-Dichloro-6-methylquinazoline

Similarity: 0.77

Chemical Structure| 625080-60-6

[ 625080-60-6 ]

4-Chloro-6,7-difluoroquinazoline

Similarity: 0.74

Related Parent Nucleus of
[ 98556-31-1 ]

Quinazolines

Chemical Structure| 90272-83-6

[ 90272-83-6 ]

4-Chloro-7-methylquinazoline

Similarity: 0.84

Chemical Structure| 848841-54-3

[ 848841-54-3 ]

6-Iodoquinazoline

Similarity: 0.82

Chemical Structure| 6484-24-8

[ 6484-24-8 ]

4-Chloro-2-methylquinazoline

Similarity: 0.79

Chemical Structure| 38267-96-8

[ 38267-96-8 ]

6-Bromo-4-chloroquinazoline

Similarity: 0.77

Chemical Structure| 39576-82-4

[ 39576-82-4 ]

2,4-Dichloro-6-methylquinazoline

Similarity: 0.77

; ;