3-Methyl-4-phenyl-3-butenamide
TL;DR: 3-Methyl-4-phenyl-3-butenamide (CAS 7236-47-7) 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.
3-methyl-4-phenylbut-3-enamide
Also Known As: benzalamide, 3-Benzalbutyramide, lipidemol, lipobeta, beta-Benzalbutyramide
| Molecular Formula | C11H13NO |
|---|---|
| Molecular Weight | 175.10 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 43.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.09972 |
| Heavy Atoms | 13 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 7236-47-7 |
|---|---|
| SMILES | CC(=CC1=CC=CC=C1)CC(=O)N |
| InChIKey | KAJZGRFYZKWYDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyl-4-phenyl-3-butenamide (CAS 7236-47-7), with molecular formula C11H13NO and molecular weight 175.10 g/mol. IUPAC: 3-methyl-4-phenylbut-3-enamide.
Chemical Property Profile of 3-Methyl-4-phenyl-3-butenamide
Property Insights of 3-Methyl-4-phenyl-3-butenamide
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-4-phenyl-3-butenamide. With a topological polar surface area (TPSA) of 43.1 Ų, 3-Methyl-4-phenyl-3-butenamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methyl-4-phenyl-3-butenamide 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-Methyl-4-phenyl-3-butenamide?
The CAS number of 3-Methyl-4-phenyl-3-butenamide is 7236-47-7.
What is the molecular formula of 3-Methyl-4-phenyl-3-butenamide?
The molecular formula of 3-Methyl-4-phenyl-3-butenamide is C11H13NO.
What is the molecular weight of 3-Methyl-4-phenyl-3-butenamide?
The molecular weight of 3-Methyl-4-phenyl-3-butenamide is 175.10 g/mol.
Where can I buy 3-Methyl-4-phenyl-3-butenamide?
You can request a quote for 3-Methyl-4-phenyl-3-butenamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-4-phenyl-3-butenamide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-4-phenyl-3-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.