cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
TL;DR: cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid (CAS 107147-13-7) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
Also Known As: 2-(4-methylbenzoyl)cyclohexane-1-carboxylic Acid, cyclohexanecarboxylic acid, 2-(4-methylbenzoyl)-, (1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid, cis-2-(4-Methylbenzoyl)cyclohexane-1-carboxylic acid, 2alpha-(4-Methylbenzoyl)cyclohexane-1alpha-carboxylic acid
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 107147-13-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)[C@@H]2CCCC[C@@H]2C(=O)O |
| InChIKey | JHAROMYZTGWTSG-OLZOCXBDSA-N |
Product Overview
cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid (CAS 107147-13-7), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
Property Insights of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid
The XLogP value of 3.0 indicates that cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-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 cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid?
The CAS number of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid is 107147-13-7.
What is the molecular formula of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid?
The molecular formula of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid is C15H18O3.
What is the molecular weight of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid?
The molecular weight of cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid is 246.13 g/mol.
Where can I buy cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid?
You can request a quote for cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-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 cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-(1S,2R)-2-(4-methylbenzoyl)cyclohexane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.