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. 65262-96-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 65262-96-6
Chemical Structure| 65262-96-6
Structure of 65262-96-6 * 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 [ 65262-96-6 ]

Related Doc. of [ 65262-96-6 ]

Alternatived Products of [ 65262-96-6 ]
Product Citations

Product Details of [ 65262-96-6 ]

CAS No. :65262-96-6 MDL No. :MFCD00002260
Formula : C7H7ClO2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :LZVYZZFCAMPFOQ-UHFFFAOYSA-N
M.W : 158.58 Pubchem ID :103339
Synonyms :

Calculated chemistry of [ 65262-96-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 39.97
TPSA : 29.46 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.27 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.83
Log Po/w (XLOGP3) : 2.82
Log Po/w (WLOGP) : 2.05
Log Po/w (MLOGP) : 1.75
Log Po/w (SILICOS-IT) : 1.98
Consensus Log Po/w : 2.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.98
Solubility : 0.167 mg/ml ; 0.00105 mol/l
Class : Soluble
Log S (Ali) : -3.1
Solubility : 0.127 mg/ml ; 0.000801 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.55
Solubility : 0.444 mg/ml ; 0.0028 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.5

Safety of [ 65262-96-6 ]

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 [ 65262-96-6 ]

* 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.

  • Downstream synthetic route of [ 65262-96-6 ]

[ 65262-96-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 327056-73-5 ]
  • [ 65262-96-6 ]
  • [ 1034890-86-2 ]
YieldReaction ConditionsOperation in experiment
With potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 120℃; for 6h; 3-chloro-5-(3-chloro-5-methoxyphenoxy)benzonitrile(B-3); A mixture of 1.00 g (6.31 mmol) of 3-chloro-5-methoxyphenol (B-1), of 1.28 g (8.20 mmol) <strong>[327056-73-5]3-fluoro-5-chlorobenzonitrile</strong> (B-2), and 2.62 g (18.93 mmol) of potassium carbonate in 10 mL of N-methylpyrrolidinone was heated at 120 C. in a nitrogen atmosphere with vigorous stirring. After 6 hours, LC/MS analysis indicated that the reaction was complete. The reaction was cooled to room temperature and filtered, and the solid washed with EtOAc. The filtrate was diluted further with EtOAc, and was washed with 20 mL of 1N HCl, 20 mL of 1 N NaOH, 20 mL of water, and 20 mL of brine. The organic layer was dried (anhydrous MgSO4), filtered, and the filtrate concentrated in vacuo to an orange oil. The oil was purified by flash column chromatography over silica gel with 3:1 cloroform/hexanes to give the desired product B-3 as a clear oil. MS: M+1=295. 1H NMR(CDCl3): 3.81 delta(s, 3H), 6.44 m, 1H), 6.62 (m,1H), 6.78 (m,1H), 7.14 (m,1H), 7.22(m,1H), 7.37(m,1H).
  • 2
  • [ 327056-73-5 ]
  • [ 65262-96-6 ]
  • C23H14Cl2NO6(1-)*K(1+) [ No CAS ]
  • 3
  • [ 327056-73-5 ]
  • [ 65262-96-6 ]
  • [ 920036-08-4 ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 65262-96-6 ]

Aryls

Chemical Structure| 7051-16-3

[ 7051-16-3 ]

1-Chloro-3,5-dimethoxybenzene

Similarity: 1.00

Chemical Structure| 2845-89-8

[ 2845-89-8 ]

1-Chloro-3-methoxybenzene

Similarity: 0.95

Chemical Structure| 623-12-1

[ 623-12-1 ]

1-Chloro-4-methoxybenzene

Similarity: 0.92

Chemical Structure| 16766-30-6

[ 16766-30-6 ]

4-Chloro-2-methoxyphenol

Similarity: 0.90

Chemical Structure| 18113-03-6

[ 18113-03-6 ]

2-Chloro-4-methoxyphenol

Similarity: 0.88

Chlorides

Chemical Structure| 7051-16-3

[ 7051-16-3 ]

1-Chloro-3,5-dimethoxybenzene

Similarity: 1.00

Chemical Structure| 2845-89-8

[ 2845-89-8 ]

1-Chloro-3-methoxybenzene

Similarity: 0.95

Chemical Structure| 623-12-1

[ 623-12-1 ]

1-Chloro-4-methoxybenzene

Similarity: 0.92

Chemical Structure| 16766-30-6

[ 16766-30-6 ]

4-Chloro-2-methoxyphenol

Similarity: 0.90

Chemical Structure| 18113-03-6

[ 18113-03-6 ]

2-Chloro-4-methoxyphenol

Similarity: 0.88

Ethers

Chemical Structure| 7051-16-3

[ 7051-16-3 ]

1-Chloro-3,5-dimethoxybenzene

Similarity: 1.00

Chemical Structure| 2845-89-8

[ 2845-89-8 ]

1-Chloro-3-methoxybenzene

Similarity: 0.95

Chemical Structure| 623-12-1

[ 623-12-1 ]

1-Chloro-4-methoxybenzene

Similarity: 0.92

Chemical Structure| 16766-30-6

[ 16766-30-6 ]

4-Chloro-2-methoxyphenol

Similarity: 0.90

Chemical Structure| 18113-03-6

[ 18113-03-6 ]

2-Chloro-4-methoxyphenol

Similarity: 0.88

; ;