Methyl 8-oxooctanoate
TL;DR: Methyl 8-oxooctanoate (CAS 3884-92-2) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 8-oxooctanoate
Also Known As: Methyl 8-oxooctanoate, methyl 8-oxo-octanoate, methyl 7-formylheptanoate, 8-Oxooctanoic acid methyl ester, Octanoic acid,8-oxo-,methyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 132.0 |
Chemical Identifiers
| CAS Number | 3884-92-2 |
|---|---|
| SMILES | COC(=O)CCCCCCC=O |
| InChIKey | HVAXGLYKECRETN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 8-oxooctanoate (CAS 3884-92-2), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: methyl 8-oxooctanoate.
Chemical Property Profile of Methyl 8-oxooctanoate
Property Insights of Methyl 8-oxooctanoate
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 8-oxooctanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 8-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 8-oxooctanoate 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 Methyl 8-oxooctanoate?
The CAS number of Methyl 8-oxooctanoate is 3884-92-2.
What is the molecular formula of Methyl 8-oxooctanoate?
The molecular formula of Methyl 8-oxooctanoate is C9H16O3.
What is the molecular weight of Methyl 8-oxooctanoate?
The molecular weight of Methyl 8-oxooctanoate is 172.11 g/mol.
Where can I buy Methyl 8-oxooctanoate?
You can request a quote for Methyl 8-oxooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 8-oxooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 8-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.