CAS RN: 14315-16-3
3-AMINOBENZANILIDE
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.20250613 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS14315-16-3
- Purity/Analytical Methods: >99.0%
14315-16-3 / 3-amino-N-phenylbenzamide
Basic Information
CAS
14315-16-3
Multi CAS
No
Molecular Formula
C13H12N2O
Molecular Weight
212.250000
Exact Mass
212.094963
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC(=CC=C2)N
InChI
InChI=1S/C13H12N2O/c14-11-6-4-5-10(9-11)13(16)15-12-7-2-1-3-8-12/h1-9H,14H2,(H,15,16)
InChIKey
KPSPULPPMWHXGE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
65.25
TPSA
55.12
LogP / Solubility
WLOGP
2.52
MLOGP
2.22
XLogP3
1.9
Consensus LogP
2.21
Log S (ESOL)
-3.17
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.12
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.37
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)
-2.22
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
GHS Hazard Statements
H412 (100%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement Codes
P273, and P501
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- CAS RN: 14319-13-2
- Product Code: starshine_CAS14319-13-2
- Purity/Analytical method: >99.0%
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