2-Benzyl-4-oxo-cyclohexanecarboxylic acid
TL;DR: 2-Benzyl-4-oxo-cyclohexanecarboxylic acid (CAS 14497-27-9) is a chemical compound with molecular formula C14H16O3 and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzyl-4-oxocyclohexane-1-carboxylic acid
Also Known As: 2-Benzyl-4-oxo-cyclohexanecarboxylic acid, ChemDiv2_000410, 2-benzyl-4-oxocyclohexanecarboxylic acid, 2-benzyl-4-oxocyclohexane-1-carboxylic acid, 5-Propyl-furan-2-carbaldehyde
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.2991 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.10994 |
| Heavy Atoms | 17 |
| Complexity | 410.73532 |
Chemical Identifiers
| CAS Number | 14497-27-9 |
|---|---|
| SMILES | C1CC(=O)CC(C1C(=O)O)CC2=CC=CC=C2 |
Product Overview
2-Benzyl-4-oxo-cyclohexanecarboxylic acid (CAS 14497-27-9), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: 2-benzyl-4-oxocyclohexane-1-carboxylic acid.
Chemical Property Profile of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid
Property Insights of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid
The XLogP value of 2.2991 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Benzyl-4-oxo-cyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, 2-Benzyl-4-oxo-cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Benzyl-4-oxo-cyclohexanecarboxylic 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 2-Benzyl-4-oxo-cyclohexanecarboxylic acid?
The CAS number of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid is 14497-27-9.
What is the molecular formula of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid?
The molecular formula of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid is C14H16O3.
What is the molecular weight of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid?
The molecular weight of 2-Benzyl-4-oxo-cyclohexanecarboxylic acid is 232.11 g/mol.
Where can I buy 2-Benzyl-4-oxo-cyclohexanecarboxylic acid?
You can request a quote for 2-Benzyl-4-oxo-cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Benzyl-4-oxo-cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Benzyl-4-oxo-cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.