3-Butenamide, 2-methyl-N-phenyl-
TL;DR: 3-Butenamide, 2-methyl-N-phenyl- (CAS 80188-12-1) is a chemical compound with molecular formula C11H13NO and molecular weight 175.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-N-phenylbut-3-enamide
Also Known As: 2-methyl-N-phenylbut-3-enamide, 3-Butenamide, 2-methyl-N-phenyl-, 2-Methyl-N-phenyl-3-butenamide, 2-Methyl-N-phenyl-3-butenamide #, RefChem:277878
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 80188-12-1 |
|---|---|
| SMILES | CC(C=C)C(=O)NC1=CC=CC=C1 |
| InChIKey | WCHXCHUYHPVPQK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Butenamide, 2-methyl-N-phenyl- (CAS 80188-12-1), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 2-methyl-N-phenylbut-3-enamide.
Chemical Property Profile of 3-Butenamide, 2-methyl-N-phenyl-
Property Insights of 3-Butenamide, 2-methyl-N-phenyl-
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Butenamide, 2-methyl-N-phenyl-. With a topological polar surface area (TPSA) of 29.1 Ų, 3-Butenamide, 2-methyl-N-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Butenamide, 2-methyl-N-phenyl- 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 3-Butenamide, 2-methyl-N-phenyl-?
The CAS number of 3-Butenamide, 2-methyl-N-phenyl- is 80188-12-1.
What is the molecular formula of 3-Butenamide, 2-methyl-N-phenyl-?
The molecular formula of 3-Butenamide, 2-methyl-N-phenyl- is C11H13NO.
What is the molecular weight of 3-Butenamide, 2-methyl-N-phenyl-?
The molecular weight of 3-Butenamide, 2-methyl-N-phenyl- is 175.10 g/mol.
Where can I buy 3-Butenamide, 2-methyl-N-phenyl-?
You can request a quote for 3-Butenamide, 2-methyl-N-phenyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Butenamide, 2-methyl-N-phenyl-?
Yes, KEHONG BIO provides custom synthesis services for 3-Butenamide, 2-methyl-N-phenyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.