CAS RN: 5411-13-2
N-(4-Acetylphenyl)benzamide
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.20260207 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS5411-13-2
- Purity/Analytical Methods: >99.0%
5411-13-2 / N-(4-acetylphenyl)benzamide
Basic Information
CAS
5411-13-2
Multi CAS
Yes
Molecular Formula
C15H13NO2
Molecular Weight
239.270000
Exact Mass
239.094629
InChI
InChI=1S/C15H13NO2/c1-11(17)12-7-9-14(10-8-12)16-15(18)13-5-3-2-4-6-13/h2-10H,1H3,(H,16,18)
InChIKey
ZJXQWYZBPKDYLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.07
Rotatable bonds
3
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.84
TPSA
46.17
LogP / Solubility
WLOGP
3.14
MLOGP
2.77
XLogP3
2.3
Consensus LogP
2.74
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.79
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.18
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)
-1.95
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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