Ethyl 2-acetyl-3-oxohexanoate
TL;DR: Ethyl 2-acetyl-3-oxohexanoate (CAS 63765-76-4) is a chemical compound with molecular formula C10H16O4 and molecular weight 200.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetyl-3-oxohexanoate
Also Known As: ethyl 2-acetyl-3-oxohexanoate, 2-Acetyl-3-oxohexanoic acid ethyl ester, ETHYL 2-ACETYL-3-OXO-HEXANOATE, Ethyl 3-oxo-2-acetylhexanoate, ETHYL2-ACETYL-3-OXO-HEXANOATE
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 200.10486 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 63765-76-4 |
|---|---|
| SMILES | CCCC(=O)C(C(=O)C)C(=O)OCC |
| InChIKey | ADNFJNFZZOQJKK-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetyl-3-oxohexanoate (CAS 63765-76-4), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 2-acetyl-3-oxohexanoate.
Chemical Property Profile of Ethyl 2-acetyl-3-oxohexanoate
Property Insights of Ethyl 2-acetyl-3-oxohexanoate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-acetyl-3-oxohexanoate. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetyl-3-oxohexanoate. Following Lipinski's Rule of Five, Ethyl 2-acetyl-3-oxohexanoate has 0 hydrogen bond donor(s) and 4 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 2-acetyl-3-oxohexanoate?
The CAS number of Ethyl 2-acetyl-3-oxohexanoate is 63765-76-4.
What is the molecular formula of Ethyl 2-acetyl-3-oxohexanoate?
The molecular formula of Ethyl 2-acetyl-3-oxohexanoate is C10H16O4.
What is the molecular weight of Ethyl 2-acetyl-3-oxohexanoate?
The molecular weight of Ethyl 2-acetyl-3-oxohexanoate is 200.10 g/mol.
Where can I buy Ethyl 2-acetyl-3-oxohexanoate?
You can request a quote for Ethyl 2-acetyl-3-oxohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetyl-3-oxohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetyl-3-oxohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.