Heptanoic acid, 3-methyl-4-oxo-, ethyl ester
TL;DR: Heptanoic acid, 3-methyl-4-oxo-, ethyl ester (CAS 67893-05-4) 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-methyl-4-oxoheptanoate
Also Known As: Ethyl 3-methyl-4-oxoheptanoate, Ethyl 3-methyl-4-ketoheptanoate, Heptanoic acid, 3-methyl-4-oxo-, ethyl ester, 3-methyl-4-oxo-heptanoic acid ethyl ester, 3-Methyl-4-oxoheptanoic acid ethyl ester
| Molecular Formula | C10H18O3 |
|---|---|
| Molecular Weight | 186.13 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 186.1256 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 67893-05-4 |
|---|---|
| SMILES | CCCC(=O)C(C)CC(=O)OCC |
| InChIKey | DXRJGHNIYCEKBM-UHFFFAOYSA-N |
Product Overview
Heptanoic acid, 3-methyl-4-oxo-, ethyl ester (CAS 67893-05-4), with molecular formula C10H18O3 and molecular weight 186.13 g/mol. IUPAC: ethyl 3-methyl-4-oxoheptanoate.
Chemical Property Profile of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester
Property Insights of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Heptanoic acid, 3-methyl-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 43.4 Ų, Heptanoic acid, 3-methyl-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Heptanoic acid, 3-methyl-4-oxo-, ethyl ester 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 Heptanoic acid, 3-methyl-4-oxo-, ethyl ester?
The CAS number of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester is 67893-05-4.
What is the molecular formula of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester?
The molecular formula of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester is C10H18O3.
What is the molecular weight of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester?
The molecular weight of Heptanoic acid, 3-methyl-4-oxo-, ethyl ester is 186.13 g/mol.
Where can I buy Heptanoic acid, 3-methyl-4-oxo-, ethyl ester?
You can request a quote for Heptanoic acid, 3-methyl-4-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 Heptanoic acid, 3-methyl-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Heptanoic acid, 3-methyl-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.