Butyl 9-oxononanoate
TL;DR: Butyl 9-oxononanoate (CAS 2649-93-6) is a chemical compound with molecular formula C13H24O3 and molecular weight 228.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 9-oxononanoate
Also Known As: Butyl 9-oxononanoate, Butyl 9-oxononanoate #, Azelaaldehydic acid, butyl ester, 9-Oxononanoic acid butyl ester, Azelaaldehydic acid butyl ester
| Molecular Formula | C13H24O3 |
|---|---|
| Molecular Weight | 228.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 228.17255 |
| Heavy Atoms | 16 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 2649-93-6 |
|---|---|
| SMILES | CCCCOC(=O)CCCCCCCC=O |
| InChIKey | RKCDWVWCNXOCMW-UHFFFAOYSA-N |
Product Overview
Butyl 9-oxononanoate (CAS 2649-93-6), with molecular formula C13H24O3 and molecular weight 228.17 g/mol. IUPAC: butyl 9-oxononanoate.
Chemical Property Profile of Butyl 9-oxononanoate
Property Insights of Butyl 9-oxononanoate
The XLogP value of 3.1 indicates that Butyl 9-oxononanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Butyl 9-oxononanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyl 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 Butyl 9-oxononanoate?
The CAS number of Butyl 9-oxononanoate is 2649-93-6.
What is the molecular formula of Butyl 9-oxononanoate?
The molecular formula of Butyl 9-oxononanoate is C13H24O3.
What is the molecular weight of Butyl 9-oxononanoate?
The molecular weight of Butyl 9-oxononanoate is 228.17 g/mol.
Where can I buy Butyl 9-oxononanoate?
You can request a quote for Butyl 9-oxononanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 9-oxononanoate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 9-oxononanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.