N-Allyl-3-chloropropanamide
TL;DR: N-Allyl-3-chloropropanamide (CAS 1167-48-2) is a chemical compound with molecular formula C6H10ClNO and molecular weight 147.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-prop-2-enylpropanamide
Also Known As: N-ALLYL-3-CHLOROPROPANAMIDE, 3-chloro-N-prop-2-enylpropanamide, N-allyl-3-chloro-propanamide, 3-chloro-n-(prop-2-en-1-yl)propanamide, propanamide, 3-chloro-N-2-propenyl-
| Molecular Formula | C6H10ClNO |
|---|---|
| Molecular Weight | 147.05 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 147.04509 |
| Heavy Atoms | 9 |
| Complexity | 103.0 |
Chemical Identifiers
| CAS Number | 1167-48-2 |
|---|---|
| SMILES | C=CCNC(=O)CCCl |
| InChIKey | YUENFBIGWWZQGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Allyl-3-chloropropanamide (CAS 1167-48-2), with molecular formula C6H10ClNO and molecular weight 147.05 g/mol. IUPAC: 3-chloro-N-prop-2-enylpropanamide.
Chemical Property Profile of N-Allyl-3-chloropropanamide
Property Insights of N-Allyl-3-chloropropanamide
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Allyl-3-chloropropanamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-Allyl-3-chloropropanamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Allyl-3-chloropropanamide has 1 hydrogen bond donor(s) and 1 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-Allyl-3-chloropropanamide?
The CAS number of N-Allyl-3-chloropropanamide is 1167-48-2.
What is the molecular formula of N-Allyl-3-chloropropanamide?
The molecular formula of N-Allyl-3-chloropropanamide is C6H10ClNO.
What is the molecular weight of N-Allyl-3-chloropropanamide?
The molecular weight of N-Allyl-3-chloropropanamide is 147.05 g/mol.
Where can I buy N-Allyl-3-chloropropanamide?
You can request a quote for N-Allyl-3-chloropropanamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Allyl-3-chloropropanamide?
Yes, KEHONG BIO provides custom synthesis services for N-Allyl-3-chloropropanamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.