3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester
TL;DR: 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester (CAS 7037-13-0) is a chemical compound with molecular formula C11H20O2 and molecular weight 184.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (E,2R)-2-ethyl-4-methylhept-3-enoate
Also Known As: 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester, methyl (E,2R)-2-ethyl-4-methylhept-3-enoate
| Molecular Formula | C11H20O2 |
|---|---|
| Molecular Weight | 184.15 g/mol |
| LogP | 2.932 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 184.14633 |
| Heavy Atoms | 13 |
| Complexity | 182.5293 |
Chemical Identifiers
| CAS Number | 7037-13-0 |
|---|---|
| SMILES | CCC/C(=C/[C@@H](CC)C(=O)OC)/C |
Product Overview
3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester (CAS 7037-13-0), with molecular formula C11H20O2 and molecular weight 184.15 g/mol. IUPAC: methyl (E,2R)-2-ethyl-4-methylhept-3-enoate.
Chemical Property Profile of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester
Property Insights of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester
The XLogP value of 2.932 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl 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, 2-ethyl-4-methyl-, methyl ester?
The CAS number of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester is 7037-13-0.
What is the molecular formula of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester?
The molecular formula of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester is C11H20O2.
What is the molecular weight of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester?
The molecular weight of 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester is 184.15 g/mol.
Where can I buy 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester?
You can request a quote for 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl 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, 2-ethyl-4-methyl-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Heptenoic acid, 2-ethyl-4-methyl-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.