2-chloro-N-(4-cyanophenyl)propanamide
TL;DR: 2-chloro-N-(4-cyanophenyl)propanamide (CAS 40781-36-0) 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.
2-chloro-N-(4-cyanophenyl)propanamide
Also Known As: 2-chloro-N-(4-cyanophenyl)propanamide, N,S-Dimethylthiobenzimidat, 2-CHLORO-N- PROPANAMIDE, Propanamide, 2-chloro-N-(4-cyanophenyl)-, N-(4-Cyanophenyl)-2-chloropropanamide
| Molecular Formula | C10H9ClN2O |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | 2.12408 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04034 |
| Heavy Atoms | 14 |
| Complexity | 364.70355 |
Chemical Identifiers
| CAS Number | 40781-36-0 |
|---|---|
| SMILES | CC(C(=O)NC1=CC=C(C=C1)C#N)Cl |
Product Overview
2-chloro-N-(4-cyanophenyl)propanamide (CAS 40781-36-0), with molecular formula C10H9ClN2O and molecular weight 208.04 g/mol. IUPAC: 2-chloro-N-(4-cyanophenyl)propanamide.
Chemical Property Profile of 2-chloro-N-(4-cyanophenyl)propanamide
Property Insights of 2-chloro-N-(4-cyanophenyl)propanamide
The XLogP value of 2.12408 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-chloro-N-(4-cyanophenyl)propanamide. With a topological polar surface area (TPSA) of 52.89 Ų, 2-chloro-N-(4-cyanophenyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(4-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 2-chloro-N-(4-cyanophenyl)propanamide?
The CAS number of 2-chloro-N-(4-cyanophenyl)propanamide is 40781-36-0.
What is the molecular formula of 2-chloro-N-(4-cyanophenyl)propanamide?
The molecular formula of 2-chloro-N-(4-cyanophenyl)propanamide is C10H9ClN2O.
What is the molecular weight of 2-chloro-N-(4-cyanophenyl)propanamide?
The molecular weight of 2-chloro-N-(4-cyanophenyl)propanamide is 208.04 g/mol.
Where can I buy 2-chloro-N-(4-cyanophenyl)propanamide?
You can request a quote for 2-chloro-N-(4-cyanophenyl)propanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(4-cyanophenyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(4-cyanophenyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.