cis-2-Benzoyl-1-cyclohexanecarboxylic acid
TL;DR: cis-2-Benzoyl-1-cyclohexanecarboxylic acid (CAS 6939-99-7) 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.
cis-(1R,2S)-2-benzoylcyclohexane-1-carboxylic acid
Also Known As: 2-benzoylcyclohexanecarboxylic acid, CIS-2-BENZOYL-1-CYCLOHEXANECARBOXYLIC ACID, cis-2-Benzoylcyclohexane-1-carboxylic acid, (1R,2S)-2-benzoylcyclohexane-1-carboxylic acid, (1R,2S)-2-Benzoylcyclohexanecarboxylic acid
| Molecular Formula | C14H16O3 |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 2.7603 |
| 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 | 6939-99-7 |
|---|---|
| SMILES | C1CC[C@H]([C@H](C1)C(=O)C2=CC=CC=C2)C(=O)O |
Product Overview
cis-2-Benzoyl-1-cyclohexanecarboxylic acid (CAS 6939-99-7), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: cis-(1R,2S)-2-benzoylcyclohexane-1-carboxylic acid.
Chemical Property Profile of cis-2-Benzoyl-1-cyclohexanecarboxylic acid
Property Insights of cis-2-Benzoyl-1-cyclohexanecarboxylic acid
The XLogP value of 2.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for cis-2-Benzoyl-1-cyclohexanecarboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, cis-2-Benzoyl-1-cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-Benzoyl-1-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 cis-2-Benzoyl-1-cyclohexanecarboxylic acid?
The CAS number of cis-2-Benzoyl-1-cyclohexanecarboxylic acid is 6939-99-7.
What is the molecular formula of cis-2-Benzoyl-1-cyclohexanecarboxylic acid?
The molecular formula of cis-2-Benzoyl-1-cyclohexanecarboxylic acid is C14H16O3.
What is the molecular weight of cis-2-Benzoyl-1-cyclohexanecarboxylic acid?
The molecular weight of cis-2-Benzoyl-1-cyclohexanecarboxylic acid is 232.11 g/mol.
Where can I buy cis-2-Benzoyl-1-cyclohexanecarboxylic acid?
You can request a quote for cis-2-Benzoyl-1-cyclohexanecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for cis-2-Benzoyl-1-cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-2-Benzoyl-1-cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.