Ethyl 3-oxooctanoate
TL;DR: Ethyl 3-oxooctanoate (CAS 10488-95-6) 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.
ethyl 3-oxooctanoate
Also Known As: Ethyl 3-oxooctanoate, 3-Oxo-octanoic acid ethyl ester, caprylsaureethylester, ethyl hexanoylacetate, 3-Oxo-octanoicacidethylester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 2.089 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 163.5528 |
Chemical Identifiers
| CAS Number | 10488-95-6 |
|---|---|
| SMILES | CCCCCC(=O)CC(=O)OCC |
Product Overview
Ethyl 3-oxooctanoate (CAS 10488-95-6), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: ethyl 3-oxooctanoate.
Chemical Property Profile of Ethyl 3-oxooctanoate
Property Insights of Ethyl 3-oxooctanoate
The XLogP value of 2.089 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-oxooctanoate. With a topological polar surface area (TPSA) of 43.37 Ų, Ethyl 3-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-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 Ethyl 3-oxooctanoate?
The CAS number of Ethyl 3-oxooctanoate is 10488-95-6.
What is the molecular formula of Ethyl 3-oxooctanoate?
The molecular formula of Ethyl 3-oxooctanoate is C10H18O3.
What is the molecular weight of Ethyl 3-oxooctanoate?
The molecular weight of Ethyl 3-oxooctanoate is 186.13 g/mol.
Where can I buy Ethyl 3-oxooctanoate?
You can request a quote for Ethyl 3-oxooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-oxooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.