trans-2-Benzoylcyclohexane-1-carboxylic acid
TL;DR: trans-2-Benzoylcyclohexane-1-carboxylic acid (CAS 820991-06-8) 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.
trans-(1R,2R)-2-benzoylcyclohexane-1-carboxylic acid
Also Known As: trans-2-Benzoylcyclohexane-1-carboxylic acid, 2-Benzoylcyclohexane-1-carboxylate, 1556AE, trans-2-benzoylcyclohexanecarboxylic acid, (1R,2R)-2-benzoylcyclohexane-1-carboxylic 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 | 820991-06-8 |
|---|---|
| SMILES | C1CC[C@H]([C@@H](C1)C(=O)C2=CC=CC=C2)C(=O)O |
Product Overview
trans-2-Benzoylcyclohexane-1-carboxylic acid (CAS 820991-06-8), with molecular formula C14H16O3 and molecular weight 232.11 g/mol. IUPAC: trans-(1R,2R)-2-benzoylcyclohexane-1-carboxylic acid.
Chemical Property Profile of trans-2-Benzoylcyclohexane-1-carboxylic acid
Property Insights of trans-2-Benzoylcyclohexane-1-carboxylic acid
The XLogP value of 2.7603 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-2-Benzoylcyclohexane-1-carboxylic acid. With a topological polar surface area (TPSA) of 54.37 Ų, trans-2-Benzoylcyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-2-Benzoylcyclohexane-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 trans-2-Benzoylcyclohexane-1-carboxylic acid?
The CAS number of trans-2-Benzoylcyclohexane-1-carboxylic acid is 820991-06-8.
What is the molecular formula of trans-2-Benzoylcyclohexane-1-carboxylic acid?
The molecular formula of trans-2-Benzoylcyclohexane-1-carboxylic acid is C14H16O3.
What is the molecular weight of trans-2-Benzoylcyclohexane-1-carboxylic acid?
The molecular weight of trans-2-Benzoylcyclohexane-1-carboxylic acid is 232.11 g/mol.
Where can I buy trans-2-Benzoylcyclohexane-1-carboxylic acid?
You can request a quote for trans-2-Benzoylcyclohexane-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 trans-2-Benzoylcyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for trans-2-Benzoylcyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.