CAS RN: 7461-34-9
N-benzyl-4-chlorobenzamide
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260613 | 100mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS7461-34-9
- Purity/Analytical Methods: >99.0%
7461-34-9 / N-benzyl-4-chlorobenzamide
Basic Information
CAS
7461-34-9
Multi CAS
No
Molecular Formula
C14H12CLNO
Molecular Weight
245.700000
Exact Mass
245.060742
InChI
InChI=1S/C14H12ClNO/c15-13-8-6-12(7-9-13)14(17)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChIKey
LSMWDKIFKGLNSW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
69.06
TPSA
29.1
LogP / Solubility
WLOGP
3.27
MLOGP
2.88
XLogP3
2.9
Consensus LogP
3.02
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.94
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.33
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.9
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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