3-chloro-N-(2-cyanophenyl)propanamide
TL;DR: 3-chloro-N-(2-cyanophenyl)propanamide (CAS 401641-37-0) 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.
3-chloro-N-(2-cyanophenyl)propanamide
Also Known As: 3-chloro-N-(2-cyanophenyl)propanamide, 966-229-1, RefChem:500385
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.12568 |
| 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 | 401641-37-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)NC(=O)CCCl |
Product Overview
3-chloro-N-(2-cyanophenyl)propanamide (CAS 401641-37-0), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 3-chloro-N-(2-cyanophenyl)propanamide.
Chemical Property Profile of 3-chloro-N-(2-cyanophenyl)propanamide
Property Insights of 3-chloro-N-(2-cyanophenyl)propanamide
The XLogP value of 2.12568 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(2-cyanophenyl)propanamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(2-cyanophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(2-cyanophenyl)propanamide 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 3-chloro-N-(2-cyanophenyl)propanamide?
The CAS number of 3-chloro-N-(2-cyanophenyl)propanamide is 401641-37-0.
What is the molecular formula of 3-chloro-N-(2-cyanophenyl)propanamide?
The molecular formula of 3-chloro-N-(2-cyanophenyl)propanamide is C10H9ClN2O.
What is the molecular weight of 3-chloro-N-(2-cyanophenyl)propanamide?
The molecular weight of 3-chloro-N-(2-cyanophenyl)propanamide is 208.04 g/mol.
Where can I buy 3-chloro-N-(2-cyanophenyl)propanamide?
You can request a quote for 3-chloro-N-(2-cyanophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-chloro-N-(2-cyanophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(2-cyanophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.