4-Amino-2-methoxy-5-sulfanylbenzoic acid
TL;DR: 4-Amino-2-methoxy-5-sulfanylbenzoic acid (CAS 59168-57-9) is a chemical compound with molecular formula C8H9NO3S and molecular weight 199.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-2-methoxy-5-sulfanylbenzoic acid
Also Known As: 4-amino-2-methoxy-5-sulfanylbenzoic acid, 2-METHOXY-4-AMINO-5-MERCAPTOBENZOIC ACID, 4-AMINO-2-METHOXY-5-MERCAPTOBENZOIC ACID, 4-Amino-5-mercapto-2-methoxy-benzoic Acid, amino-(tetrahydro-pyran-4-yl)-aceticacid
| Molecular Formula | C8H9NO3S |
|---|---|
| Molecular Weight | 199.03 g/mol |
| LogP | 1.2643 |
| Topological Polar Surface Area | 72.55 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.03032 |
| Heavy Atoms | 13 |
| Complexity | 351.48752 |
Chemical Identifiers
| CAS Number | 59168-57-9 |
|---|---|
| SMILES | COC1=CC(=C(C=C1C(=O)O)S)N |
Product Overview
4-Amino-2-methoxy-5-sulfanylbenzoic acid (CAS 59168-57-9), with molecular formula C8H9NO3S and molecular weight 199.03 g/mol. IUPAC: 4-amino-2-methoxy-5-sulfanylbenzoic acid.
Chemical Property Profile of 4-Amino-2-methoxy-5-sulfanylbenzoic acid
Property Insights of 4-Amino-2-methoxy-5-sulfanylbenzoic acid
The XLogP value of 1.2643 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-2-methoxy-5-sulfanylbenzoic acid. The TPSA of 72.55 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-2-methoxy-5-sulfanylbenzoic acid. Following Lipinski's Rule of Five, 4-Amino-2-methoxy-5-sulfanylbenzoic acid has 3 hydrogen bond donor(s) and 4 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-Amino-2-methoxy-5-sulfanylbenzoic acid?
The CAS number of 4-Amino-2-methoxy-5-sulfanylbenzoic acid is 59168-57-9.
What is the molecular formula of 4-Amino-2-methoxy-5-sulfanylbenzoic acid?
The molecular formula of 4-Amino-2-methoxy-5-sulfanylbenzoic acid is C8H9NO3S.
What is the molecular weight of 4-Amino-2-methoxy-5-sulfanylbenzoic acid?
The molecular weight of 4-Amino-2-methoxy-5-sulfanylbenzoic acid is 199.03 g/mol.
Where can I buy 4-Amino-2-methoxy-5-sulfanylbenzoic acid?
You can request a quote for 4-Amino-2-methoxy-5-sulfanylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-2-methoxy-5-sulfanylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-2-methoxy-5-sulfanylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.