Methyl 9-oxononanoate
TL;DR: Methyl 9-oxononanoate (CAS 1931-63-1) is a chemical compound with molecular formula C10H18O3 and molecular weight 186.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 9-oxononanoate
Also Known As: Methyl 9-oxononanoate, Methyl azelaaldehydate, Methyl 8-formyloctanoate, Nonanoic acid, 9-oxo-,methyl ester, Methyl9-oxononanoate
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 143.0 |
Chemical Identifiers
| CAS Number | 1931-63-1 |
|---|---|
| SMILES | COC(=O)CCCCCCCC=O |
| InChIKey | JMLYDLZRFNYHHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 9-oxononanoate (CAS 1931-63-1), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: methyl 9-oxononanoate.
Chemical Property Profile of Methyl 9-oxononanoate
Property Insights of Methyl 9-oxononanoate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 9-oxononanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Methyl 9-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 9-oxononanoate 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 9-oxononanoate?
The CAS number of Methyl 9-oxononanoate is 1931-63-1.
What is the molecular formula of Methyl 9-oxononanoate?
The molecular formula of Methyl 9-oxononanoate is C10H18O3.
What is the molecular weight of Methyl 9-oxononanoate?
The molecular weight of Methyl 9-oxononanoate is 186.13 g/mol.
Where can I buy Methyl 9-oxononanoate?
You can request a quote for Methyl 9-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 9-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 9-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.