Ethyl 6-oxooctanoate
TL;DR: Ethyl 6-oxooctanoate (CAS 4282-29-5) 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 6-oxooctanoate
Also Known As: Ethyl 6-oxooctanoate, Ethyl6-oxooctanoate, ethyl-6-keto-octanoate, Ethyl 6-oxooctanoate #, 6-Oxooctanoicacidethylester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 4282-29-5 |
|---|---|
| SMILES | CCC(=O)CCCCC(=O)OCC |
| InChIKey | AWEDPHYBDIDQEC-UHFFFAOYSA-N |
Product Overview
Ethyl 6-oxooctanoate (CAS 4282-29-5), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: ethyl 6-oxooctanoate.
Chemical Property Profile of Ethyl 6-oxooctanoate
Property Insights of Ethyl 6-oxooctanoate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 6-oxooctanoate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 6-oxooctanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 6-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 6-oxooctanoate?
The CAS number of Ethyl 6-oxooctanoate is 4282-29-5.
What is the molecular formula of Ethyl 6-oxooctanoate?
The molecular formula of Ethyl 6-oxooctanoate is C10H18O3.
What is the molecular weight of Ethyl 6-oxooctanoate?
The molecular weight of Ethyl 6-oxooctanoate is 186.13 g/mol.
Where can I buy Ethyl 6-oxooctanoate?
You can request a quote for Ethyl 6-oxooctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 6-oxooctanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 6-oxooctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.