6-Octenoic acid,3-oxo-, methyl ester
TL;DR: 6-Octenoic acid,3-oxo-, methyl ester (CAS 62344-14-3) is a chemical compound with molecular formula C9H14O3 and molecular weight 170.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-oxooct-6-enoate
Also Known As: Methyl 3-oxooct-6-enoate, 6-Octenoic acid,3-oxo-, methyl ester, METHYL 3-OXO-6-OCTENOATE, 3-oxo-oct-6-enoic acid methyl ester, 3-Oxo-oct-6c-ensaeure-methylester
| Molecular Formula | C9H14O3 |
|---|---|
| Molecular Weight | 170.09 g/mol |
| LogP | 1.4749 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 170.0943 |
| Heavy Atoms | 12 |
| Complexity | 182.21266 |
Chemical Identifiers
| CAS Number | 62344-14-3 |
|---|---|
| SMILES | CC=CCCC(=O)CC(=O)OC |
Product Overview
6-Octenoic acid,3-oxo-, methyl ester (CAS 62344-14-3), with molecular formula C9H14O3 and molecular weight 170.09 g/mol. IUPAC: methyl 3-oxooct-6-enoate.
Chemical Property Profile of 6-Octenoic acid,3-oxo-, methyl ester
Property Insights of 6-Octenoic acid,3-oxo-, methyl ester
The XLogP value of 1.4749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Octenoic acid,3-oxo-, methyl ester. With a topological polar surface area (TPSA) of 43.37 Ų, 6-Octenoic acid,3-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-Octenoic acid,3-oxo-, methyl ester has 0 hydrogen bond donor(s) and 3 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 6-Octenoic acid,3-oxo-, methyl ester?
The CAS number of 6-Octenoic acid,3-oxo-, methyl ester is 62344-14-3.
What is the molecular formula of 6-Octenoic acid,3-oxo-, methyl ester?
The molecular formula of 6-Octenoic acid,3-oxo-, methyl ester is C9H14O3.
What is the molecular weight of 6-Octenoic acid,3-oxo-, methyl ester?
The molecular weight of 6-Octenoic acid,3-oxo-, methyl ester is 170.09 g/mol.
Where can I buy 6-Octenoic acid,3-oxo-, methyl ester?
You can request a quote for 6-Octenoic acid,3-oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Octenoic acid,3-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Octenoic acid,3-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.