N-benzyl-3-cyanobenzamide
TL;DR: N-benzyl-3-cyanobenzamide (CAS 108618-96-8) is a chemical compound with molecular formula C15H12N2O and molecular weight 236.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-cyanobenzamide
Also Known As: N-benzyl-3-cyanobenzamide, benzamide, 3-cyano-n-(phenylmethyl), Benzamide, 3-cyano-N-(phenylmethyl)-, J1.775.913B
| Molecular Formula | C15H12N2O |
|---|---|
| Molecular Weight | 236.09 g/mol |
| LogP | 2.48828 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.09496 |
| Heavy Atoms | 18 |
| Complexity | 584.9426 |
Chemical Identifiers
| CAS Number | 108618-96-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC(=O)C2=CC=CC(=C2)C#N |
Product Overview
N-benzyl-3-cyanobenzamide (CAS 108618-96-8), with molecular formula C15H12N2O and molecular weight 236.09 g/mol. IUPAC: N-benzyl-3-cyanobenzamide.
Chemical Property Profile of N-benzyl-3-cyanobenzamide
Property Insights of N-benzyl-3-cyanobenzamide
The XLogP value of 2.48828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-benzyl-3-cyanobenzamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-benzyl-3-cyanobenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-cyanobenzamide has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-3-cyanobenzamide?
The CAS number of N-benzyl-3-cyanobenzamide is 108618-96-8.
What is the molecular formula of N-benzyl-3-cyanobenzamide?
The molecular formula of N-benzyl-3-cyanobenzamide is C15H12N2O.
What is the molecular weight of N-benzyl-3-cyanobenzamide?
The molecular weight of N-benzyl-3-cyanobenzamide is 236.09 g/mol.
Where can I buy N-benzyl-3-cyanobenzamide?
You can request a quote for N-benzyl-3-cyanobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-cyanobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-cyanobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.