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N-[(3-chlorophenyl)methyl]-2-cyanoacetamide
TL;DR: N-[(3-chlorophenyl)methyl]-2-cyanoacetamide (CAS 64488-08-0) 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-[(3-chlorophenyl)methyl]-2-cyanoacetamide
Also Known As: N-[(3-chlorophenyl)methyl]-2-cyanoacetamide, N-(3'-chlorobenzyl)-2-cyanoacetamide, n-(3-chlorobenzyl)-2-cyanoacetamide, N-[(3-chlorophenyl)methyl]-2-cyano-acetamide
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 1.86988 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 370.6299 |
Chemical Identifiers
| CAS Number | 64488-08-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)CNC(=O)CC#N |
Product Overview
N-[(3-chlorophenyl)methyl]-2-cyanoacetamide (CAS 64488-08-0), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: N-[(3-chlorophenyl)methyl]-2-cyanoacetamide.
Chemical Property Profile of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide
Property Insights of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide
The XLogP value of 1.86988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(3-chlorophenyl)methyl]-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-[(3-chlorophenyl)methyl]-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(3-chlorophenyl)methyl]-2-cyanoacetamide 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-[(3-chlorophenyl)methyl]-2-cyanoacetamide?
The CAS number of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide is 64488-08-0.
What is the molecular formula of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide?
The molecular formula of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide is C10H9ClN2O.
What is the molecular weight of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide?
The molecular weight of N-[(3-chlorophenyl)methyl]-2-cyanoacetamide is 208.04 g/mol.
Where can I buy N-[(3-chlorophenyl)methyl]-2-cyanoacetamide?
You can request a quote for N-[(3-chlorophenyl)methyl]-2-cyanoacetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(3-chlorophenyl)methyl]-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(3-chlorophenyl)methyl]-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.