![2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid structure](/static/products/878/878612-93-2.png)
2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid
TL;DR: 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid (CAS 878612-93-2) is a chemical compound with molecular formula C13H13ClO2S and molecular weight 268.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanylcyclohexene-1-carboxylic acid
Also Known As: 2-[(4-chlorophenyl)sulfanyl]cyclohex-1-ene-1-carboxylic acid, 2-[(4-chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid, 2-(4-chlorophenyl)sulfanylcyclohexene-1-carboxylic Acid, 2-((4-Chlorophenyl)thio)cyclohex-1-ene-1-carboxylic acid, 2-[(4-chlorophenyl)thio]cyclohex-1-ene-1-carboxylicacid
| Molecular Formula | C13H13ClO2S |
|---|---|
| Molecular Weight | 268.03 g/mol |
| LogP | 4.3448 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 268.03247 |
| Heavy Atoms | 17 |
| Complexity | 450.9922 |
Chemical Identifiers
| CAS Number | 878612-93-2 |
|---|---|
| SMILES | C1CCC(=C(C1)C(=O)O)SC2=CC=C(C=C2)Cl |
Product Overview
2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid (CAS 878612-93-2), with molecular formula C13H13ClO2S and molecular weight 268.03 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanylcyclohexene-1-carboxylic acid.
Chemical Property Profile of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid
Property Insights of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid
The XLogP value of 4.3448 indicates that 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-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 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid?
The CAS number of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid is 878612-93-2.
What is the molecular formula of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid?
The molecular formula of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid is C13H13ClO2S.
What is the molecular weight of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid?
The molecular weight of 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid is 268.03 g/mol.
Where can I buy 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid?
You can request a quote for 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-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 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)thio]cyclohex-1-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.