N-phenylbut-2-enamide
TL;DR: N-phenylbut-2-enamide (CAS 56776-80-8) is a chemical compound with molecular formula C10H11NO and molecular weight 161.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-phenylbut-2-enamide
Also Known As: N-phenylbut-2-enamide, butenanilide, 2-Butenamide, N-phenyl-, (2E)-, 2-Butenamide, N-phenyl-, NCIOpen2_001757
| Molecular Formula | C10H11NO |
|---|---|
| Molecular Weight | 161.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 161.08406 |
| Heavy Atoms | 12 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 56776-80-8 |
|---|---|
| SMILES | CC=CC(=O)NC1=CC=CC=C1 |
| InChIKey | BZSYYMAHNJHZCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-phenylbut-2-enamide (CAS 56776-80-8), with molecular formula C10H11NO and molecular weight 161.08 g/mol. IUPAC: N-phenylbut-2-enamide.
Chemical Property Profile of N-phenylbut-2-enamide
Property Insights of N-phenylbut-2-enamide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-phenylbut-2-enamide. With a topological polar surface area (TPSA) of 29.1 Ų, N-phenylbut-2-enamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-phenylbut-2-enamide 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-phenylbut-2-enamide?
The CAS number of N-phenylbut-2-enamide is 56776-80-8.
What is the molecular formula of N-phenylbut-2-enamide?
The molecular formula of N-phenylbut-2-enamide is C10H11NO.
What is the molecular weight of N-phenylbut-2-enamide?
The molecular weight of N-phenylbut-2-enamide is 161.08 g/mol.
Where can I buy N-phenylbut-2-enamide?
You can request a quote for N-phenylbut-2-enamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-phenylbut-2-enamide?
Yes, KEHONG BIO provides custom synthesis services for N-phenylbut-2-enamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.