1-Methyl-3-oxocyclohexanecarboxylic acid
TL;DR: 1-Methyl-3-oxocyclohexanecarboxylic acid (CAS 62733-86-2) is a chemical compound with molecular formula C8H12O3 and molecular weight 156.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-oxocyclohexane-1-carboxylic acid
Also Known As: 1-methyl-3-oxocyclohexane-1-carboxylic acid, 1-Methyl-3-oxocyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 1-methyl-3-oxo-, J1.426.114A
| Molecular Formula | C8H12O3 |
|---|---|
| Molecular Weight | 156.08 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 156.07864 |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 62733-86-2 |
|---|---|
| SMILES | CC1(CCCC(=O)C1)C(=O)O |
| InChIKey | DTHOYTSHAJQOCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-oxocyclohexanecarboxylic acid (CAS 62733-86-2), with molecular formula C8H12O3 and molecular weight 156.08 g/mol. IUPAC: 1-methyl-3-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 1-Methyl-3-oxocyclohexanecarboxylic acid
Property Insights of 1-Methyl-3-oxocyclohexanecarboxylic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-oxocyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 1-Methyl-3-oxocyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Methyl-3-oxocyclohexanecarboxylic acid has 1 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 1-Methyl-3-oxocyclohexanecarboxylic acid?
The CAS number of 1-Methyl-3-oxocyclohexanecarboxylic acid is 62733-86-2.
What is the molecular formula of 1-Methyl-3-oxocyclohexanecarboxylic acid?
The molecular formula of 1-Methyl-3-oxocyclohexanecarboxylic acid is C8H12O3.
What is the molecular weight of 1-Methyl-3-oxocyclohexanecarboxylic acid?
The molecular weight of 1-Methyl-3-oxocyclohexanecarboxylic acid is 156.08 g/mol.
Where can I buy 1-Methyl-3-oxocyclohexanecarboxylic acid?
You can request a quote for 1-Methyl-3-oxocyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-oxocyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-oxocyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.