![CAS 92435-83-1 2-CHLORO-N-[(4-CHLOROPHENYL)(PHENYL)METHYL]ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/92435-83-1.gif)
CAS RN: 92435-83-1
2-CHLORO-N-[(4-CHLOROPHENYL)(PHENYL)METHYL]ACETAMIDE
Product Availability
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4 package records3 with current stock1 grade group
- Product code: starshine_CAS92435-83-1
- Purity/Analytical Methods: >99.0%
92435-83-1 / 2-chloro-N-[(4-chlorophenyl)-phenylmethyl]acetamide
Basic Information
CAS
92435-83-1
Multi CAS
No
Molecular Formula
C15H13CL2NO
Molecular Weight
294.200000
Exact Mass
293.037419
InChI
InChI=1S/C15H13Cl2NO/c16-10-14(19)18-15(11-4-2-1-3-5-11)12-6-8-13(17)9-7-12/h1-9,15H,10H2,(H,18,19)
InChIKey
IQUCNXSZNHPPML-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
78.6
TPSA
29.1
LogP / Solubility
WLOGP
3.78
MLOGP
3.34
XLogP3
4
Consensus LogP
3.71
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.7
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
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