5-Mercapto-o-anisic acid
TL;DR: 5-Mercapto-o-anisic acid (CAS 80530-56-9) 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-5-sulfanylbenzoic acid
Also Known As: 5-Mercapto-o-anisic acid, 2-methoxy-5-sulfanylbenzoic acid, 5-mercapto-o-anisicacid, 5-mercapto-2-methoxybenzoic acid, EINECS 279-491-0
| 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 | 80530-56-9 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S)C(=O)O |
Product Overview
5-Mercapto-o-anisic acid (CAS 80530-56-9), with molecular formula C8H8O3S and molecular weight 184.02 g/mol. IUPAC: 2-methoxy-5-sulfanylbenzoic acid.
Chemical Property Profile of 5-Mercapto-o-anisic acid
Property Insights of 5-Mercapto-o-anisic acid
The XLogP value of 1.6821 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Mercapto-o-anisic acid. With a topological polar surface area (TPSA) of 46.53 Ų, 5-Mercapto-o-anisic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Mercapto-o-anisic 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 5-Mercapto-o-anisic acid?
The CAS number of 5-Mercapto-o-anisic acid is 80530-56-9.
What is the molecular formula of 5-Mercapto-o-anisic acid?
The molecular formula of 5-Mercapto-o-anisic acid is C8H8O3S.
What is the molecular weight of 5-Mercapto-o-anisic acid?
The molecular weight of 5-Mercapto-o-anisic acid is 184.02 g/mol.
Where can I buy 5-Mercapto-o-anisic acid?
You can request a quote for 5-Mercapto-o-anisic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Mercapto-o-anisic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-Mercapto-o-anisic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.