CAS RN: 96749-32-5
N-(3-Chlorophenyl)-3-MethylbenzaMide
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260628 | 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS96749-32-5
- Purity/Analytical Methods: >99.0%
96749-32-5 / N-(3-chlorophenyl)-3-methylbenzamide
Basic Information
CAS
96749-32-5
Multi CAS
No
Molecular Formula
C14H12CLNO
Molecular Weight
245.700000
Exact Mass
245.060742
InChI
InChI=1S/C14H12ClNO/c1-10-4-2-5-11(8-10)14(17)16-13-7-3-6-12(15)9-13/h2-9H,1H3,(H,16,17)
InChIKey
PXBPMCNEAZKAKS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
70.58
TPSA
29.1
LogP / Solubility
WLOGP
3.9
MLOGP
3.44
XLogP3
3.7
Consensus LogP
3.68
Log S (ESOL)
-4.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.73
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.45
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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