2-乙酰基-3-氧代辛酸乙酯
TL;DR: 2-乙酰基-3-氧代辛酸乙酯 (CAS 60462-02-4) is a chemical compound with molecular formula C12H20O4 and molecular weight 228.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-乙酰基-3-氧代辛酸乙酯
ethyl 2-acetyl-3-oxooctanoate
Also Known As: Ethyl 2-acetyl-3-oxooctanoate, Octanoic acid, ethyl ester, Octanoic acid, 2-acetyl-3-oxo-, ethyl ester, 2-Acetyl-3-oxo-octansaeure-aethylester, 2-Acetyl-3-oxooctanoic acid ethyl ester
| Molecular Formula | C12H20O4 |
|---|---|
| Molecular Weight | 228.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 228.13615 |
| Heavy Atoms | 16 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 60462-02-4 |
|---|---|
| SMILES | CCCCCC(=O)C(C(=O)C)C(=O)OCC |
| InChIKey | IMBGUKJEVQHNPC-UHFFFAOYSA-N |
Product Overview
2-乙酰基-3-氧代辛酸乙酯 (CAS 60462-02-4), with molecular formula C12H20O4 and molecular weight 228.14 g/mol. IUPAC: ethyl 2-acetyl-3-oxooctanoate.
Chemical Property Profile of 2-乙酰基-3-氧代辛酸乙酯
Property Insights of 2-乙酰基-3-氧代辛酸乙酯
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-乙酰基-3-氧代辛酸乙酯. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-乙酰基-3-氧代辛酸乙酯. Following Lipinski's Rule of Five, 2-乙酰基-3-氧代辛酸乙酯 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 2-乙酰基-3-氧代辛酸乙酯?
The CAS number of 2-乙酰基-3-氧代辛酸乙酯 is 60462-02-4.
What is the molecular formula of 2-乙酰基-3-氧代辛酸乙酯?
The molecular formula of 2-乙酰基-3-氧代辛酸乙酯 is C12H20O4.
What is the molecular weight of 2-乙酰基-3-氧代辛酸乙酯?
The molecular weight of 2-乙酰基-3-氧代辛酸乙酯 is 228.14 g/mol.
Where can I buy 2-乙酰基-3-氧代辛酸乙酯?
You can request a quote for 2-乙酰基-3-氧代辛酸乙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-乙酰基-3-氧代辛酸乙酯?
Yes, KEHONG BIO provides custom synthesis services for 2-乙酰基-3-氧代辛酸乙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.