N-(4-Chloro-benzyl)-2-cyano-acetamide
TL;DR: N-(4-Chloro-benzyl)-2-cyano-acetamide (CAS 6631-91-0) is a chemical compound with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-cyanoacetamide
Also Known As: n-(4-chlorobenzyl)-2-cyanoacetamide, N-[(4-chlorophenyl)methyl]-2-cyanoacetamide, chlorobenzylcyanoacetamide, n-(4-chloro-benzyl)-2-cyano-acetamide, 7604AE
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 6631-91-0 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC(=O)CC#N)Cl |
| InChIKey | UKKHUKFEKBKULS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(4-Chloro-benzyl)-2-cyano-acetamide (CAS 6631-91-0), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-cyanoacetamide.
Chemical Property Profile of N-(4-Chloro-benzyl)-2-cyano-acetamide
Property Insights of N-(4-Chloro-benzyl)-2-cyano-acetamide
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-Chloro-benzyl)-2-cyano-acetamide. With a topological polar surface area (TPSA) of 52.9 Ų, N-(4-Chloro-benzyl)-2-cyano-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-Chloro-benzyl)-2-cyano-acetamide 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-(4-Chloro-benzyl)-2-cyano-acetamide?
The CAS number of N-(4-Chloro-benzyl)-2-cyano-acetamide is 6631-91-0.
What is the molecular formula of N-(4-Chloro-benzyl)-2-cyano-acetamide?
The molecular formula of N-(4-Chloro-benzyl)-2-cyano-acetamide is C10H9ClN2O.
What is the molecular weight of N-(4-Chloro-benzyl)-2-cyano-acetamide?
The molecular weight of N-(4-Chloro-benzyl)-2-cyano-acetamide is 208.04 g/mol.
Where can I buy N-(4-Chloro-benzyl)-2-cyano-acetamide?
You can request a quote for N-(4-Chloro-benzyl)-2-cyano-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-Chloro-benzyl)-2-cyano-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-Chloro-benzyl)-2-cyano-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.