cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid
TL;DR: cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid (CAS 844856-71-9) is a chemical compound with molecular formula C14H14F2O3 and molecular weight 268.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,5-difluorobenzoyl)cyclohexane-1-carboxylic acid
Also Known As: 2-(3,5-difluorobenzoyl)cyclohexane-1-carboxylic Acid, cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid, 2-(3,5-difluorobenzoyl)cyclohexanecarboxylic acid, 2-(3,5-Difluoro-benzoyl)-cyclohexanecarboxylic acid, cis-2-(3,5-Difluorobenzoyl)cyclohexane-1-carboxylic acid
| Molecular Formula | C14H14F2O3 |
|---|---|
| Molecular Weight | 268.09 g/mol |
| LogP | 3.0385 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.0911 |
| Heavy Atoms | 19 |
| Complexity | 493.1626 |
Chemical Identifiers
| CAS Number | 844856-71-9 |
|---|---|
| SMILES | C1CCC(C(C1)C(=O)C2=CC(=CC(=C2)F)F)C(=O)O |
Product Overview
cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid (CAS 844856-71-9), with molecular formula C14H14F2O3 and molecular weight 268.09 g/mol. IUPAC: 2-(3,5-difluorobenzoyl)cyclohexane-1-carboxylic acid.
Chemical Property Profile of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid
Property Insights of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid
The XLogP value of 3.0385 indicates that cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, cis-2-(3,5-Difluorobenzoyl)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-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid?
The CAS number of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid is 844856-71-9.
What is the molecular formula of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid?
The molecular formula of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid is C14H14F2O3.
What is the molecular weight of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid?
The molecular weight of cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid is 268.09 g/mol.
Where can I buy cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid?
You can request a quote for cis-2-(3,5-Difluorobenzoyl)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-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for cis-2-(3,5-Difluorobenzoyl)cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.