4-Oxocyclohexanecarboxylic acid
TL;DR: 4-Oxocyclohexanecarboxylic acid (CAS 5874-61-3) is a chemical compound with molecular formula C7H10O3 and molecular weight 142.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxocyclohexane-1-carboxylic acid
Also Known As: 4-Oxocyclohexanecarboxylic acid, 4-oxocyclohexane-1-carboxylic acid, 4-Oxo-chca, 4-Ketocyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 4-oxo-
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 152.0 |
Chemical Identifiers
| CAS Number | 5874-61-3 |
|---|---|
| SMILES | C1CC(=O)CCC1C(=O)O |
| InChIKey | OWLXUYGCLDGHJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxocyclohexanecarboxylic acid (CAS 5874-61-3), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 4-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-Oxocyclohexanecarboxylic acid
Property Insights of 4-Oxocyclohexanecarboxylic acid
The XLogP value of -0.1 indicates that 4-Oxocyclohexanecarboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxocyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-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 4-Oxocyclohexanecarboxylic acid?
The CAS number of 4-Oxocyclohexanecarboxylic acid is 5874-61-3.
What is the molecular formula of 4-Oxocyclohexanecarboxylic acid?
The molecular formula of 4-Oxocyclohexanecarboxylic acid is C7H10O3.
What is the molecular weight of 4-Oxocyclohexanecarboxylic acid?
The molecular weight of 4-Oxocyclohexanecarboxylic acid is 142.06 g/mol.
Where can I buy 4-Oxocyclohexanecarboxylic acid?
You can request a quote for 4-Oxocyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxocyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxocyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.