2-Methoxy-4-mercaptobenzoic acid
TL;DR: 2-Methoxy-4-mercaptobenzoic acid (CAS 95420-72-7) is a chemical compound with molecular formula C8H8O3S and molecular weight 184.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methoxy-4-sulfanylbenzoic acid
Also Known As: 2-METHOXY-4-MERCAPTOBENZOIC ACID, 2-methoxy-4-sulfanylbenzoic acid, 4-mercapto-2-methoxybenzoic acid, 4-Mercapto-2-methoxy-benzoic Acid, 2-methoxy-4-sulfanyl-benzoic Acid
| Molecular Formula | C8H8O3S |
|---|---|
| Molecular Weight | 184.02 g/mol |
| LogP | 1.6821 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.01941 |
| Heavy Atoms | 12 |
| Complexity | 309.17133 |
Chemical Identifiers
| CAS Number | 95420-72-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)S)C(=O)O |
Product Overview
2-Methoxy-4-mercaptobenzoic acid (CAS 95420-72-7), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: 2-methoxy-4-sulfanylbenzoic acid.
Chemical Property Profile of 2-Methoxy-4-mercaptobenzoic acid
Property Insights of 2-Methoxy-4-mercaptobenzoic acid
The XLogP value of 1.6821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methoxy-4-mercaptobenzoic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 2-Methoxy-4-mercaptobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methoxy-4-mercaptobenzoic acid has 2 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-Methoxy-4-mercaptobenzoic acid?
The CAS number of 2-Methoxy-4-mercaptobenzoic acid is 95420-72-7.
What is the molecular formula of 2-Methoxy-4-mercaptobenzoic acid?
The molecular formula of 2-Methoxy-4-mercaptobenzoic acid is C8H8O3S.
What is the molecular weight of 2-Methoxy-4-mercaptobenzoic acid?
The molecular weight of 2-Methoxy-4-mercaptobenzoic acid is 184.02 g/mol.
Where can I buy 2-Methoxy-4-mercaptobenzoic acid?
You can request a quote for 2-Methoxy-4-mercaptobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methoxy-4-mercaptobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Methoxy-4-mercaptobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.