n-Butyl-2-propenamide
TL;DR: n-Butyl-2-propenamide (CAS 2565-18-6) is a chemical compound with molecular formula C7H13NO and molecular weight 127.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butylprop-2-enamide
Also Known As: N-butylacrylamide, N-n-butylacrylamide, N-butylprop-2-enamide, n-Butyl-2-propenamide, 2-propenamide, N-butyl-
| Molecular Formula | C7H13NO |
|---|---|
| Molecular Weight | 127.10 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 127.09972 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 2565-18-6 |
|---|---|
| SMILES | CCCCNC(=O)C=C |
| InChIKey | YRVUCYWJQFRCOB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
n-Butyl-2-propenamide (CAS 2565-18-6), with molecular formula C7H13NO and molecular weight 127.10 g/mol. IUPAC: N-butylprop-2-enamide.
Chemical Property Profile of n-Butyl-2-propenamide
Property Insights of n-Butyl-2-propenamide
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for n-Butyl-2-propenamide. With a topological polar surface area (TPSA) of 29.1 Ų, n-Butyl-2-propenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, n-Butyl-2-propenamide 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-Butyl-2-propenamide?
The CAS number of n-Butyl-2-propenamide is 2565-18-6.
What is the molecular formula of n-Butyl-2-propenamide?
The molecular formula of n-Butyl-2-propenamide is C7H13NO.
What is the molecular weight of n-Butyl-2-propenamide?
The molecular weight of n-Butyl-2-propenamide is 127.10 g/mol.
Where can I buy n-Butyl-2-propenamide?
You can request a quote for n-Butyl-2-propenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for n-Butyl-2-propenamide?
Yes, KEHONG BIO provides custom synthesis services for n-Butyl-2-propenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.