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CAS 732255-12-8 N-(2-chloro-4-methylphenyl)-4-cyanobenzamide molecular structure lightbox
CAS RN: 732255-12-8

N-(2-chloro-4-methylphenyl)-4-cyanobenzamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250312 5mg Out of stock 15 business days Inquiry
  • Product code: starshine_CAS732255-12-8
  • Purity/Analytical Methods: >99.0%
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732255-12-8 / N-(2-chloro-4-methylphenyl)-4-cyanobenzamide

Standard CAS: 732255-12-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
732255-12-8
Multi CAS
No
Molecular Formula
C15H11CLN2O
Molecular Weight
270.710000
Exact Mass
270.055991
InChI
InChI=1S/C15H11ClN2O/c1-10-2-7-14(13(16)8-10)18-15(19)12-5-3-11(9-17)4-6-12/h2-8H,1H3,(H,18,19)
InChIKey
WCIMFCUXJLCYHG-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
1
Molar refractivity
75.3
TPSA
52.89

LogP / Solubility

WLOGP
3.77
MLOGP
3.33
XLogP3
3.8
Consensus LogP
3.63
Log S (ESOL)
-4.23
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.5
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.79
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)
-1.69

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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