2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid
TL;DR: 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid (CAS 885461-60-9) is a chemical compound with molecular formula C14H16O2S and molecular weight 248.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylphenyl)sulfanylcyclohexene-1-carboxylic acid
Also Known As: 2-[(4-METHYLPHENYL)SULFANYL]CYCLOHEX-1-ENE-1-CARBOXYLIC ACID, 2-(4-methylphenyl)sulfanylcyclohexene-1-carboxylic Acid, 2-[(4-methylphenyl)thio]cyclohex-1-ene-1-carboxylic acid, 2-(p-tolylsulfanyl)cyclohexene-1-carboxylic acid, 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid
| Molecular Formula | C14H16O2S |
|---|---|
| Molecular Weight | 248.09 g/mol |
| LogP | 3.99982 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.0871 |
| Heavy Atoms | 17 |
| Complexity | 445.79495 |
Chemical Identifiers
| CAS Number | 885461-60-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(CCCC2)C(=O)O |
Product Overview
2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid (CAS 885461-60-9), with molecular formula C14H16O2S and molecular weight 248.09 g/mol. IUPAC: 2-(4-methylphenyl)sulfanylcyclohexene-1-carboxylic acid.
Chemical Property Profile of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid
Property Insights of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid
The XLogP value of 3.99982 indicates that 2-((4-Methylphenyl)sulfanyl)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-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Methylphenyl)sulfanyl)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-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid?
The CAS number of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid is 885461-60-9.
What is the molecular formula of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid?
The molecular formula of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid is C14H16O2S.
What is the molecular weight of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid?
The molecular weight of 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid is 248.09 g/mol.
Where can I buy 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid?
You can request a quote for 2-((4-Methylphenyl)sulfanyl)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-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Methylphenyl)sulfanyl)cyclohex-1-ene-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.