3-chloro-N-(cyanomethyl)propanamide
TL;DR: 3-chloro-N-(cyanomethyl)propanamide (CAS 349097-94-5) is a chemical compound with molecular formula C5H7ClN2O and molecular weight 146.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(cyanomethyl)propanamide
Also Known As: 3-chloro-N-(cyanomethyl)propanamide
| Molecular Formula | C5H7ClN2O |
|---|---|
| Molecular Weight | 146.02 g/mol |
| LogP | 0.25508 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 146.02469 |
| Heavy Atoms | 9 |
| Complexity | 129.40991 |
Chemical Identifiers
| CAS Number | 349097-94-5 |
|---|---|
| SMILES | C(CCl)C(=O)NCC#N |
Product Overview
3-chloro-N-(cyanomethyl)propanamide (CAS 349097-94-5), with molecular formula C5H7ClN2O and molecular weight 146.02 g/mol. IUPAC: 3-chloro-N-(cyanomethyl)propanamide.
Chemical Property Profile of 3-chloro-N-(cyanomethyl)propanamide
Property Insights of 3-chloro-N-(cyanomethyl)propanamide
The XLogP value of 0.25508 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-chloro-N-(cyanomethyl)propanamide. With a topological polar surface area (TPSA) of 52.89 Ų, 3-chloro-N-(cyanomethyl)propanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(cyanomethyl)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-(cyanomethyl)propanamide?
The CAS number of 3-chloro-N-(cyanomethyl)propanamide is 349097-94-5.
What is the molecular formula of 3-chloro-N-(cyanomethyl)propanamide?
The molecular formula of 3-chloro-N-(cyanomethyl)propanamide is C5H7ClN2O.
What is the molecular weight of 3-chloro-N-(cyanomethyl)propanamide?
The molecular weight of 3-chloro-N-(cyanomethyl)propanamide is 146.02 g/mol.
Where can I buy 3-chloro-N-(cyanomethyl)propanamide?
You can request a quote for 3-chloro-N-(cyanomethyl)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-(cyanomethyl)propanamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(cyanomethyl)propanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.