4'-Methylsulfanyl-biphenyl-4-carboxylic acid
TL;DR: 4'-Methylsulfanyl-biphenyl-4-carboxylic acid (CAS 728918-90-9) is a chemical compound with molecular formula C14H12O2S and molecular weight 244.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-methylsulfanylphenyl)benzoic acid
Also Known As: 4-(4-methylsulfanylphenyl)benzoic Acid, 4'-Methylsulfanyl-biphenyl-4-carboxylic acid, 4-(4-methylthiophenyl)benzoic acid, 4'-(Methylthio)-[1,1'-biphenyl]-4-carboxylic acid, 4'-methylsulfanylbiphenyl-4-carboxylic acid
| Molecular Formula | C14H12O2S |
|---|---|
| Molecular Weight | 244.06 g/mol |
| LogP | 3.7737 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 244.0558 |
| Heavy Atoms | 17 |
| Complexity | 514.9234 |
Chemical Identifiers
| CAS Number | 728918-90-9 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4'-Methylsulfanyl-biphenyl-4-carboxylic acid (CAS 728918-90-9), with molecular formula C14H12O2S and molecular weight 244.06 g/mol. IUPAC: 4-(4-methylsulfanylphenyl)benzoic acid.
Chemical Property Profile of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid
Property Insights of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid
The XLogP value of 3.7737 indicates that 4'-Methylsulfanyl-biphenyl-4-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, 4'-Methylsulfanyl-biphenyl-4-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methylsulfanyl-biphenyl-4-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 4'-Methylsulfanyl-biphenyl-4-carboxylic acid?
The CAS number of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid is 728918-90-9.
What is the molecular formula of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid?
The molecular formula of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid is C14H12O2S.
What is the molecular weight of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid?
The molecular weight of 4'-Methylsulfanyl-biphenyl-4-carboxylic acid is 244.06 g/mol.
Where can I buy 4'-Methylsulfanyl-biphenyl-4-carboxylic acid?
You can request a quote for 4'-Methylsulfanyl-biphenyl-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylsulfanyl-biphenyl-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylsulfanyl-biphenyl-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.