N-(3,4-dichlorobenzyl)-2-cyanoacetamide
TL;DR: N-(3,4-dichlorobenzyl)-2-cyanoacetamide (CAS 64488-10-4) is a chemical compound with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyano-N-[(3,4-dichlorophenyl)methyl]acetamide
Also Known As: 2-cyano-n-(3,4-dichloro-benzyl)-acetamide, N-(3,4-dichlorobenzyl)-2-cyanoacetamide, 2-cyano-N-[(3,4-dichlorophenyl)methyl]acetamide, N-(3',4'-dichlorobenzyl)-2-cyanoacetamide
| Molecular Formula | C10H8Cl2N2O |
|---|---|
| Molecular Weight | 242.00 g/mol |
| LogP | 2.52328 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.00137 |
| Heavy Atoms | 15 |
| Complexity | 412.3737 |
Chemical Identifiers
| CAS Number | 64488-10-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1CNC(=O)CC#N)Cl)Cl |
Product Overview
N-(3,4-dichlorobenzyl)-2-cyanoacetamide (CAS 64488-10-4), with molecular formula C10H8Cl2N2O and molecular weight 242.00 g/mol. IUPAC: 2-cyano-N-[(3,4-dichlorophenyl)methyl]acetamide.
Chemical Property Profile of N-(3,4-dichlorobenzyl)-2-cyanoacetamide
Property Insights of N-(3,4-dichlorobenzyl)-2-cyanoacetamide
The XLogP value of 2.52328 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(3,4-dichlorobenzyl)-2-cyanoacetamide. With a topological polar surface area (TPSA) of 52.89 Ų, N-(3,4-dichlorobenzyl)-2-cyanoacetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(3,4-dichlorobenzyl)-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-(3,4-dichlorobenzyl)-2-cyanoacetamide?
The CAS number of N-(3,4-dichlorobenzyl)-2-cyanoacetamide is 64488-10-4.
What is the molecular formula of N-(3,4-dichlorobenzyl)-2-cyanoacetamide?
The molecular formula of N-(3,4-dichlorobenzyl)-2-cyanoacetamide is C10H8Cl2N2O.
What is the molecular weight of N-(3,4-dichlorobenzyl)-2-cyanoacetamide?
The molecular weight of N-(3,4-dichlorobenzyl)-2-cyanoacetamide is 242.00 g/mol.
Where can I buy N-(3,4-dichlorobenzyl)-2-cyanoacetamide?
You can request a quote for N-(3,4-dichlorobenzyl)-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-(3,4-dichlorobenzyl)-2-cyanoacetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(3,4-dichlorobenzyl)-2-cyanoacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.