Ethyl 3-phenylhept-2-enoate
TL;DR: Ethyl 3-phenylhept-2-enoate (CAS 62713-15-9) is a chemical compound with molecular formula C15H20O2 and molecular weight 232.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-phenylhept-2-enoate
Also Known As: Ethyl 3-phenylhept-2-enoate, 2-Heptenoic acid, 3-phenyl-, ethyl ester, (E)-, 2-Heptenoic acid, 3-phenyl-, ethyl ester, (Z)-
| Molecular Formula | C15H20O2 |
|---|---|
| Molecular Weight | 232.15 g/mol |
| LogP | 3.8233 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.14633 |
| Heavy Atoms | 17 |
| Complexity | 365.76804 |
Chemical Identifiers
| CAS Number | 62713-15-9 |
|---|---|
| SMILES | CCCCC(=CC(=O)OCC)C1=CC=CC=C1 |
Product Overview
Ethyl 3-phenylhept-2-enoate (CAS 62713-15-9), with molecular formula C15H20O2 and molecular weight 232.15 g/mol. IUPAC: ethyl 3-phenylhept-2-enoate.
Chemical Property Profile of Ethyl 3-phenylhept-2-enoate
Property Insights of Ethyl 3-phenylhept-2-enoate
The XLogP value of 3.8233 indicates that Ethyl 3-phenylhept-2-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 3-phenylhept-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-phenylhept-2-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 3-phenylhept-2-enoate?
The CAS number of Ethyl 3-phenylhept-2-enoate is 62713-15-9.
What is the molecular formula of Ethyl 3-phenylhept-2-enoate?
The molecular formula of Ethyl 3-phenylhept-2-enoate is C15H20O2.
What is the molecular weight of Ethyl 3-phenylhept-2-enoate?
The molecular weight of Ethyl 3-phenylhept-2-enoate is 232.15 g/mol.
Where can I buy Ethyl 3-phenylhept-2-enoate?
You can request a quote for Ethyl 3-phenylhept-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-phenylhept-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-phenylhept-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.