4-Methyl-5-oxohexanoic acid
TL;DR: 4-Methyl-5-oxohexanoic acid (CAS 6818-07-1) is a chemical compound with molecular formula C7H12O3 and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-5-oxohexanoic acid
Also Known As: 4-methyl-5-oxohexanoic acid, starbld0037654, Hexanoic acid, 4-methyl-5-oxo-, 4-Acetyl-(8CI)valeric Acid, 4-methyl-5-oxo-hexanoic Acid
| Molecular Formula | C7H12O3 |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.0763 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 144.07864 |
| Heavy Atoms | 10 |
| Complexity | 139.78665 |
Chemical Identifiers
| CAS Number | 6818-07-1 |
|---|---|
| SMILES | CC(CCC(=O)O)C(=O)C |
Product Overview
4-Methyl-5-oxohexanoic acid (CAS 6818-07-1), with molecular formula C7H12O3 and molecular weight 144.08 g/mol. IUPAC: 4-methyl-5-oxohexanoic acid.
Chemical Property Profile of 4-Methyl-5-oxohexanoic acid
Property Insights of 4-Methyl-5-oxohexanoic acid
The XLogP value of 1.0763 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-oxohexanoic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 4-Methyl-5-oxohexanoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-5-oxohexanoic acid has 1 hydrogen bond donor(s) and 2 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 4-Methyl-5-oxohexanoic acid?
The CAS number of 4-Methyl-5-oxohexanoic acid is 6818-07-1.
What is the molecular formula of 4-Methyl-5-oxohexanoic acid?
The molecular formula of 4-Methyl-5-oxohexanoic acid is C7H12O3.
What is the molecular weight of 4-Methyl-5-oxohexanoic acid?
The molecular weight of 4-Methyl-5-oxohexanoic acid is 144.08 g/mol.
Where can I buy 4-Methyl-5-oxohexanoic acid?
You can request a quote for 4-Methyl-5-oxohexanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-oxohexanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-oxohexanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.