Methyl (3E)-4-phenyl-3-butenoate
TL;DR: Methyl (3E)-4-phenyl-3-butenoate (CAS 91083-82-8) is a chemical compound with molecular formula C11H12O2 and molecular weight 176.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E)-4-phenylbut-3-enoate
Also Known As: (E)-Methyl 4-phenylbut-3-enoate, methyl (E)-4-phenylbut-3-enoate, methyl 4-phenylbut-3-enoate, Methyl (3E)-4-phenyl-3-butenoate, Methyl trans-styryl acetate
| Molecular Formula | C11H12O2 |
|---|---|
| Molecular Weight | 176.08 g/mol |
| LogP | 2.2629 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 176.08372 |
| Heavy Atoms | 13 |
| Complexity | 288.2184 |
Chemical Identifiers
| CAS Number | 91083-82-8 |
|---|---|
| SMILES | COC(=O)C/C=C/C1=CC=CC=C1 |
Product Overview
Methyl (3E)-4-phenyl-3-butenoate (CAS 91083-82-8), with molecular formula C11H12O2 and molecular weight 176.08 g/mol. IUPAC: methyl (E)-4-phenylbut-3-enoate.
Chemical Property Profile of Methyl (3E)-4-phenyl-3-butenoate
Property Insights of Methyl (3E)-4-phenyl-3-butenoate
The XLogP value of 2.2629 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl (3E)-4-phenyl-3-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Methyl (3E)-4-phenyl-3-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl (3E)-4-phenyl-3-butenoate has 0 hydrogen bond donor(s) and 2 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 Methyl (3E)-4-phenyl-3-butenoate?
The CAS number of Methyl (3E)-4-phenyl-3-butenoate is 91083-82-8.
What is the molecular formula of Methyl (3E)-4-phenyl-3-butenoate?
The molecular formula of Methyl (3E)-4-phenyl-3-butenoate is C11H12O2.
What is the molecular weight of Methyl (3E)-4-phenyl-3-butenoate?
The molecular weight of Methyl (3E)-4-phenyl-3-butenoate is 176.08 g/mol.
Where can I buy Methyl (3E)-4-phenyl-3-butenoate?
You can request a quote for Methyl (3E)-4-phenyl-3-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl (3E)-4-phenyl-3-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl (3E)-4-phenyl-3-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.