2-(4-Methoxyphenylthio)benzoic acid
TL;DR: 2-(4-Methoxyphenylthio)benzoic acid (CAS 19862-91-0) is a chemical compound with molecular formula C14H12O3S and molecular weight 260.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methoxyphenyl)sulfanylbenzoic acid
Also Known As: Maybridge3_004378, 2-(4-methoxyphenyl)sulfanylbenzoic acid, 2-(4-methoxyphenylthio)benzoic acid, Benzoic acid, 2-[(4-methoxyphenyl)thio]-, 2-[(4-methoxyphenyl)thio]benzoic acid
| Molecular Formula | C14H12O3S |
|---|---|
| Molecular Weight | 260.05 g/mol |
| LogP | 3.5446 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 260.05072 |
| Heavy Atoms | 18 |
| Complexity | 549.2205 |
Chemical Identifiers
| CAS Number | 19862-91-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)SC2=CC=CC=C2C(=O)O |
Product Overview
2-(4-Methoxyphenylthio)benzoic acid (CAS 19862-91-0), with molecular formula C14H12O3S and molecular weight 260.05 g/mol. IUPAC: 2-(4-methoxyphenyl)sulfanylbenzoic acid.
Chemical Property Profile of 2-(4-Methoxyphenylthio)benzoic acid
Property Insights of 2-(4-Methoxyphenylthio)benzoic acid
The XLogP value of 3.5446 indicates that 2-(4-Methoxyphenylthio)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 2-(4-Methoxyphenylthio)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Methoxyphenylthio)benzoic 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 2-(4-Methoxyphenylthio)benzoic acid?
The CAS number of 2-(4-Methoxyphenylthio)benzoic acid is 19862-91-0.
What is the molecular formula of 2-(4-Methoxyphenylthio)benzoic acid?
The molecular formula of 2-(4-Methoxyphenylthio)benzoic acid is C14H12O3S.
What is the molecular weight of 2-(4-Methoxyphenylthio)benzoic acid?
The molecular weight of 2-(4-Methoxyphenylthio)benzoic acid is 260.05 g/mol.
Where can I buy 2-(4-Methoxyphenylthio)benzoic acid?
You can request a quote for 2-(4-Methoxyphenylthio)benzoic 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-Methoxyphenylthio)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methoxyphenylthio)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.