3-Heptenoic acid ethyl ester
TL;DR: 3-Heptenoic acid ethyl ester (CAS 54340-71-5) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-hept-3-enoate
Also Known As: ethyl (E)-hept-3-enoate, 3-Heptenoic acid ethyl ester, Ethyl (3E)-3-heptenoate, -3-Heptenoicacidethylester, ethyl (3E)-hept-3-enoate
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.2959 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 127.52442 |
Chemical Identifiers
| CAS Number | 54340-71-5 |
|---|---|
| SMILES | CCC/C=C/CC(=O)OCC |
Product Overview
3-Heptenoic acid ethyl ester (CAS 54340-71-5), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethyl (E)-hept-3-enoate.
Chemical Property Profile of 3-Heptenoic acid ethyl ester
Property Insights of 3-Heptenoic acid ethyl ester
The XLogP value of 2.2959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptenoic acid ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Heptenoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptenoic 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 3-Heptenoic acid ethyl ester?
The CAS number of 3-Heptenoic acid ethyl ester is 54340-71-5.
What is the molecular formula of 3-Heptenoic acid ethyl ester?
The molecular formula of 3-Heptenoic acid ethyl ester is C9H16O2.
What is the molecular weight of 3-Heptenoic acid ethyl ester?
The molecular weight of 3-Heptenoic acid ethyl ester is 156.12 g/mol.
Where can I buy 3-Heptenoic acid ethyl ester?
You can request a quote for 3-Heptenoic 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 3-Heptenoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptenoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.