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. 19808-35-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 19808-35-6
Chemical Structure| 19808-35-6
Structure of 19808-35-6 * 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 [ 19808-35-6 ]

Related Doc. of [ 19808-35-6 ]

Alternatived Products of [ 19808-35-6 ]
Product Citations

Product Details of [ 19808-35-6 ]

CAS No. :19808-35-6 MDL No. :MFCD02676502
Formula : C8H6ClN3 Boiling Point : -
Linear Structure Formula :- InChI Key :KMYOLSIBCDCWQQ-UHFFFAOYSA-N
M.W : 179.61 Pubchem ID :320247
Synonyms :

Calculated chemistry of [ 19808-35-6 ]      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 : 1.0
Molar Refractivity : 48.95
TPSA : 51.8 ?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) : -6.04 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.62
Log Po/w (XLOGP3) : 1.91
Log Po/w (WLOGP) : 1.87
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 1.85
Consensus Log Po/w : 1.7

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.77
Solubility : 0.303 mg/ml ; 0.00168 mol/l
Class : Soluble
Log S (Ali) : -2.62
Solubility : 0.43 mg/ml ; 0.00239 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.58
Solubility : 0.0468 mg/ml ; 0.000261 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 19808-35-6 ]

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

Application In Synthesis of [ 19808-35-6 ]

* 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.

  • Upstream synthesis route of [ 19808-35-6 ]

[ 19808-35-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 5922-60-1 ]
  • [ 77287-34-4 ]
  • [ 19808-35-6 ]
YieldReaction ConditionsOperation in experiment
95%
Stage #1: at 180℃; for 6 h;
Example 4 - synthesis of 4-amino-6-chloro-quinazolineA solution of 2-amino-5-chlorobenzonitrile (1.07 g, 7.0 mmol) in formamide (20 ml) was heated at 180 0C for 6 hours. After cooling to room temperature, water (30 ml) was added to the reaction mixture. The precipitate was collected by filtration, washed with water and dried over P2O5, yielding the title compound as a grey solid (1.2 g, yield: 95 percent) which was characterized by its mass spectrum as follows: MS (m/z): 180 ([M+H]+, 100).
95% at 180℃; for 6 h; Example 4 - synthesis of 4-amino-6-chloro-quinazoline; A solution of 2-amino-5-chlorobenzonitrile (1.07 g, 7.0 mmol) in formamide (20 ml) was heated at 180 0C for 6 hours. After cooling to room temperature, water (30 ml) was added to the reaction mixture. The precipitate was collected by filtration, washed with water and dried over P2O5, yielding the title compound as a grey solid (1.2 g, yield: 95 percent) which was characterized by its mass spectrum as follows: MS (m/z): 180 ([M+H]+, 100).
Reference: [1] Patent: WO2008/9077, 2008, A2, . Location in patent: Page/Page column 61
[2] Patent: WO2008/9078, 2008, A2, . Location in patent: Page/Page column 60
  • 2
  • [ 5922-60-1 ]
  • [ 3473-63-0 ]
  • [ 19808-35-6 ]
Reference: [1] Journal of Heterocyclic Chemistry, 2011, vol. 48, # 6, p. 1407 - 1413
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 19808-35-6 ]

Chlorides

Chemical Structure| 919301-53-4

[ 919301-53-4 ]

4-(4-Chlorophenyl)-2,6-diphenylpyrimidine

Similarity: 0.77

Chemical Structure| 1443049-84-0

[ 1443049-84-0 ]

2-(3'-Chloro-[1,1'-biphenyl]-4-yl)-4,6-diphenyl-1,3,5-triazine

Similarity: 0.74

Chemical Structure| 1443049-83-9

[ 1443049-83-9 ]

2-(3'-Chloro-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine

Similarity: 0.74

Chemical Structure| 7148-34-7

[ 7148-34-7 ]

4,8-Dichloro-quinazoline

Similarity: 0.73

Chemical Structure| 68050-37-3

[ 68050-37-3 ]

5-Chloroquinolin-2-amine

Similarity: 0.73

Amines

Chemical Structure| 33630-25-0

[ 33630-25-0 ]

2-Phenylpyrimidin-4-amine

Similarity: 0.74

Chemical Structure| 15018-66-3

[ 15018-66-3 ]

Quinazolin-4-ylamine

Similarity: 0.74

Chemical Structure| 68050-37-3

[ 68050-37-3 ]

5-Chloroquinolin-2-amine

Similarity: 0.73

Chemical Structure| 3435-29-8

[ 3435-29-8 ]

4-Amino-6-phenylpyrimidine

Similarity: 0.72

Chemical Structure| 39861-21-7

[ 39861-21-7 ]

4-(5-Chloro-1H-benzo[d]imidazol-2-yl)aniline

Similarity: 0.71

Related Parent Nucleus of
[ 19808-35-6 ]

Quinazolines

Chemical Structure| 15018-66-3

[ 15018-66-3 ]

Quinazolin-4-ylamine

Similarity: 0.74

Chemical Structure| 7148-34-7

[ 7148-34-7 ]

4,8-Dichloro-quinazoline

Similarity: 0.73

Chemical Structure| 67092-20-0

[ 67092-20-0 ]

2,8-Dichloroquinazoline

Similarity: 0.70

Chemical Structure| 101421-73-2

[ 101421-73-2 ]

Quinazolin-7-amine

Similarity: 0.69

Chemical Structure| 1899-48-5

[ 1899-48-5 ]

Quinazoline-2,4-diamine

Similarity: 0.67

; ;