3-Oxocyclohexane-1-carboxylic acid
TL;DR: 3-Oxocyclohexane-1-carboxylic acid (CAS 21531-46-4) 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.
3-oxocyclohexane-1-carboxylic acid
Also Known As: 3-oxocyclohexanecarboxylic acid, 3-oxocyclohexane-1-carboxylic Acid, null, 3-Oxo-1-cyclohexanecarboxylic acid, Cyclohexanecarboxylic acid, 3-oxo-
| Molecular Formula | C7H10O3 |
|---|---|
| Molecular Weight | 142.06 g/mol |
| LogP | 0.8303 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.06299 |
| Heavy Atoms | 10 |
| Complexity | 160.23416 |
Chemical Identifiers
| CAS Number | 21531-46-4 |
|---|---|
| SMILES | C1CC(CC(=O)C1)C(=O)O |
Product Overview
3-Oxocyclohexane-1-carboxylic acid (CAS 21531-46-4), with molecular formula C7H10O3 and molecular weight 142.06 g/mol. IUPAC: 3-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 3-Oxocyclohexane-1-carboxylic acid
Property Insights of 3-Oxocyclohexane-1-carboxylic acid
The XLogP value of 0.8303 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Oxocyclohexane-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 3-Oxocyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Oxocyclohexane-1-carboxylic 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 3-Oxocyclohexane-1-carboxylic acid?
The CAS number of 3-Oxocyclohexane-1-carboxylic acid is 21531-46-4.
What is the molecular formula of 3-Oxocyclohexane-1-carboxylic acid?
The molecular formula of 3-Oxocyclohexane-1-carboxylic acid is C7H10O3.
What is the molecular weight of 3-Oxocyclohexane-1-carboxylic acid?
The molecular weight of 3-Oxocyclohexane-1-carboxylic acid is 142.06 g/mol.
Where can I buy 3-Oxocyclohexane-1-carboxylic acid?
You can request a quote for 3-Oxocyclohexane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxocyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxocyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.