Ethyl trans-4-phenyl-2-butenoate
TL;DR: Ethyl trans-4-phenyl-2-butenoate (CAS 55419-66-4) 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-2-enoate
Also Known As: ETHYL TRANS-4-PHENYL-2-BUTENOATE, ethyl 4-phenylbut-2-enoate, ethyl (E)-4-phenylbut-2-enoate, ethyl4-phenylbut-2-enoate, (E)-Ethyl 4-phenylbut-2-enoate
| Molecular Formula | C12H14O2 |
|---|---|
| Molecular Weight | 190.10 g/mol |
| LogP | 2.3484 |
| 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 | 55419-66-4 |
|---|---|
| SMILES | CCOC(=O)/C=C/CC1=CC=CC=C1 |
Product Overview
Ethyl trans-4-phenyl-2-butenoate (CAS 55419-66-4), with molecular formula C12H14O2 and molecular weight 190.10 g/mol. IUPAC: ethyl (E)-4-phenylbut-2-enoate.
Chemical Property Profile of Ethyl trans-4-phenyl-2-butenoate
Property Insights of Ethyl trans-4-phenyl-2-butenoate
The XLogP value of 2.3484 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl trans-4-phenyl-2-butenoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl trans-4-phenyl-2-butenoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl trans-4-phenyl-2-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 Ethyl trans-4-phenyl-2-butenoate?
The CAS number of Ethyl trans-4-phenyl-2-butenoate is 55419-66-4.
What is the molecular formula of Ethyl trans-4-phenyl-2-butenoate?
The molecular formula of Ethyl trans-4-phenyl-2-butenoate is C12H14O2.
What is the molecular weight of Ethyl trans-4-phenyl-2-butenoate?
The molecular weight of Ethyl trans-4-phenyl-2-butenoate is 190.10 g/mol.
Where can I buy Ethyl trans-4-phenyl-2-butenoate?
You can request a quote for Ethyl trans-4-phenyl-2-butenoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl trans-4-phenyl-2-butenoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl trans-4-phenyl-2-butenoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.