4-Phenyl-3-butenoic acid butyl ester
TL;DR: 4-Phenyl-3-butenoic acid butyl ester (CAS 54966-44-8) is a chemical compound with molecular formula C14H18O2 and molecular weight 218.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 4-phenylbut-3-enoate
Also Known As: 4-Phenyl-3-butenoicacidbutylester, 4-Phenyl-3-butenoic acid butyl ester
| Molecular Formula | C14H18O2 |
|---|---|
| Molecular Weight | 218.13 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 218.13068 |
| Heavy Atoms | 16 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 54966-44-8 |
|---|---|
| SMILES | CCCCOC(=O)CC=CC1=CC=CC=C1 |
| InChIKey | IMKYZJRUXPHTGE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Phenyl-3-butenoic acid butyl ester (CAS 54966-44-8), with molecular formula C14H18O2 and molecular weight 218.13 g/mol. IUPAC: butyl 4-phenylbut-3-enoate.
Chemical Property Profile of 4-Phenyl-3-butenoic acid butyl ester
Property Insights of 4-Phenyl-3-butenoic acid butyl ester
The XLogP value of 3.6 indicates that 4-Phenyl-3-butenoic acid butyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 4-Phenyl-3-butenoic acid butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Phenyl-3-butenoic acid butyl ester 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 4-Phenyl-3-butenoic acid butyl ester?
The CAS number of 4-Phenyl-3-butenoic acid butyl ester is 54966-44-8.
What is the molecular formula of 4-Phenyl-3-butenoic acid butyl ester?
The molecular formula of 4-Phenyl-3-butenoic acid butyl ester is C14H18O2.
What is the molecular weight of 4-Phenyl-3-butenoic acid butyl ester?
The molecular weight of 4-Phenyl-3-butenoic acid butyl ester is 218.13 g/mol.
Where can I buy 4-Phenyl-3-butenoic acid butyl ester?
You can request a quote for 4-Phenyl-3-butenoic acid butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Phenyl-3-butenoic acid butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Phenyl-3-butenoic acid butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.