CAS RN: 5436-83-9
N-benzyl-4-methyl-benzamide
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250907 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS5436-83-9
- Purity/Analytical Methods: >99.0%
5436-83-9 / N-benzyl-4-methylbenzamide
Basic Information
CAS
5436-83-9
Multi CAS
Yes
Molecular Formula
C15H15NO
Molecular Weight
225.280000
Exact Mass
225.115364
InChI
InChI=1S/C15H15NO/c1-12-7-9-14(10-8-12)15(17)16-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H,16,17)
InChIKey
QIULRTIURUDCGH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.79
TPSA
29.1
LogP / Solubility
WLOGP
2.93
MLOGP
2.58
XLogP3
2.6
Consensus LogP
2.7
Log S (ESOL)
-3.4
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.52
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.91
Class (SILICOS-IT)
Poorly 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)
-2.02
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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