Ethyl 4-phenylbut-3-enoate
TL;DR: Ethyl 4-phenylbut-3-enoate (CAS 5629-57-2) is a chemical compound with molecular formula C12H14O2 and molecular weight 190.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-4-phenylbut-3-enoate
Also Known As: Ethyl 4-phenylbut-3-enoate, ethyl (E)-4-phenylbut-3-enoate, ethyl (3E)-4-phenyl-3-butenoate, Ethyl trans-4-phenyl-3-butenoate, Ethyl (E)-4-phenyl-3-butenoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.653 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 190.09938 |
| Heavy Atoms | 14 |
| Complexity | 301.35757 |
Chemical Identifiers
| CAS Number | 5629-57-2 |
|---|---|
| SMILES | CCOC(=O)C/C=C/C1=CC=CC=C1 |
Product Overview
Ethyl 4-phenylbut-3-enoate (CAS 5629-57-2), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: ethyl (E)-4-phenylbut-3-enoate.
Chemical Property Profile of Ethyl 4-phenylbut-3-enoate
Property Insights of Ethyl 4-phenylbut-3-enoate
The XLogP value of 2.653 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-phenylbut-3-enoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-phenylbut-3-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-phenylbut-3-enoate 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 Ethyl 4-phenylbut-3-enoate?
The CAS number of Ethyl 4-phenylbut-3-enoate is 5629-57-2.
What is the molecular formula of Ethyl 4-phenylbut-3-enoate?
The molecular formula of Ethyl 4-phenylbut-3-enoate is C12H14O2.
What is the molecular weight of Ethyl 4-phenylbut-3-enoate?
The molecular weight of Ethyl 4-phenylbut-3-enoate is 190.10 g/mol.
Where can I buy Ethyl 4-phenylbut-3-enoate?
You can request a quote for Ethyl 4-phenylbut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-phenylbut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-phenylbut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.