5-Phenyl-pent-2-enoic acid ethyl ester
TL;DR: 5-Phenyl-pent-2-enoic acid ethyl ester (CAS 55282-95-6) is a chemical compound with molecular formula C13H16O2 and molecular weight 204.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-phenylpent-2-enoate
Also Known As: ethyl 5-phenylpent-2-enoate, ethyl-5-phenyl-2-pentenoate, 5-phenyl-pent-2-enoic acid ethyl ester, 2-Pentenoic acid, 5-phenyl-, ethyl ester, (Z)-, 2-Pentenoic acid, 5-phenyl-, ethyl ester, (2E)-
| Molecular Formula | C13H16O2 |
|---|---|
| Molecular Weight | 204.12 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 204.11504 |
| Heavy Atoms | 15 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 55282-95-6 |
|---|---|
| SMILES | CCOC(=O)C=CCCC1=CC=CC=C1 |
| InChIKey | KODUAASIAODNCH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Phenyl-pent-2-enoic acid ethyl ester (CAS 55282-95-6), with molecular formula C13H16O2 and molecular weight 204.12 g/mol. IUPAC: ethyl 5-phenylpent-2-enoate.
Chemical Property Profile of 5-Phenyl-pent-2-enoic acid ethyl ester
Property Insights of 5-Phenyl-pent-2-enoic acid ethyl ester
The XLogP value of 3.6 indicates that 5-Phenyl-pent-2-enoic acid ethyl 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, 5-Phenyl-pent-2-enoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Phenyl-pent-2-enoic acid ethyl 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 5-Phenyl-pent-2-enoic acid ethyl ester?
The CAS number of 5-Phenyl-pent-2-enoic acid ethyl ester is 55282-95-6.
What is the molecular formula of 5-Phenyl-pent-2-enoic acid ethyl ester?
The molecular formula of 5-Phenyl-pent-2-enoic acid ethyl ester is C13H16O2.
What is the molecular weight of 5-Phenyl-pent-2-enoic acid ethyl ester?
The molecular weight of 5-Phenyl-pent-2-enoic acid ethyl ester is 204.12 g/mol.
Where can I buy 5-Phenyl-pent-2-enoic acid ethyl ester?
You can request a quote for 5-Phenyl-pent-2-enoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Phenyl-pent-2-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Phenyl-pent-2-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.