4-Oxo-1-phenylcyclohexane-1-carboxylic acid
TL;DR: 4-Oxo-1-phenylcyclohexane-1-carboxylic acid (CAS 75945-91-4) is a chemical compound with molecular formula C13H14O3 and molecular weight 218.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-1-phenylcyclohexane-1-carboxylic acid
Also Known As: 4-OXO-1-PHENYLCYCLOHEXANECARBOXYLIC ACID, 4-oxo-1-phenylcyclohexane-1-carboxylic acid, 4-carboxy-4-phenylcyclohexanone, 4-oxo-1-phenyl-Cyclohexanecarboxylic acid, 4-oxo-1-phenylcyclohexanecarboxylicacid
| Molecular Formula | C13H14O3 |
|---|---|
| Molecular Weight | 218.09 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.0943 |
| Heavy Atoms | 16 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 75945-91-4 |
|---|---|
| SMILES | C1CC(CCC1=O)(C2=CC=CC=C2)C(=O)O |
| InChIKey | GLXVJOPRMXBHSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Oxo-1-phenylcyclohexane-1-carboxylic acid (CAS 75945-91-4), with molecular formula C13H14O3 and molecular weight 218.09 g/mol. IUPAC: 4-oxo-1-phenylcyclohexane-1-carboxylic acid.
Chemical Property Profile of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid
Property Insights of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-1-phenylcyclohexane-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.4 Ų, 4-Oxo-1-phenylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Oxo-1-phenylcyclohexane-1-carboxylic 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-Oxo-1-phenylcyclohexane-1-carboxylic acid?
The CAS number of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid is 75945-91-4.
What is the molecular formula of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid?
The molecular formula of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid is C13H14O3.
What is the molecular weight of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid?
The molecular weight of 4-Oxo-1-phenylcyclohexane-1-carboxylic acid is 218.09 g/mol.
Where can I buy 4-Oxo-1-phenylcyclohexane-1-carboxylic acid?
You can request a quote for 4-Oxo-1-phenylcyclohexane-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 4-Oxo-1-phenylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-1-phenylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.