Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester
TL;DR: Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester (CAS 35490-05-2) 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-5-oxohexanoate
Also Known As: ethyl 2-acetyl-5-oxohexanoate, 2-n-butylpropane-1,3-diol, Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester, 2-ACETYL-5-OXO-HEXANOIC ACID ETHYL ESTER, 2-Acetyl-5-oxohexanoic acid ethyl ester
| Molecular Formula | C10H16O4 |
|---|---|
| Molecular Weight | 200.10 g/mol |
| LogP | 0.4 |
| 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 | 35490-05-2 |
|---|---|
| SMILES | CCOC(=O)C(CCC(=O)C)C(=O)C |
| InChIKey | FSXQBIOXTYIIDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester (CAS 35490-05-2), with molecular formula C10H16O4 and molecular weight 200.10 g/mol. IUPAC: ethyl 2-acetyl-5-oxohexanoate.
Chemical Property Profile of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester
Property Insights of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester. Following Lipinski's Rule of Five, Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester 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 Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester?
The CAS number of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester is 35490-05-2.
What is the molecular formula of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester?
The molecular formula of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester is C10H16O4.
What is the molecular weight of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester?
The molecular weight of Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester is 200.10 g/mol.
Where can I buy Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester?
You can request a quote for Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Hexanoic acid, 2-acetyl-5-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.