4-Amino-5-methoxy-2-toluenesulfonic acid
TL;DR: 4-Amino-5-methoxy-2-toluenesulfonic acid (CAS 6471-78-9) is a chemical compound with molecular formula C8H11NO4S and molecular weight 217.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-5-methoxy-2-methylbenzenesulfonic acid
Also Known As: 4-Amino-5-methoxy-2-methylbenzenesulfonic acid, Trifluorooxidanium, Cresidine-p-sulfonic Acid, Benzenesulfonic acid, 4-amino-5-methoxy-2-methyl-, Cresidinesulfonic acid
| Molecular Formula | C8H11NO4S |
|---|---|
| Molecular Weight | 217.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.04088 |
| Heavy Atoms | 14 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 6471-78-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1S(=O)(=O)O)OC)N |
| InChIKey | JBAVAJIXZVRJHT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Amino-5-methoxy-2-toluenesulfonic acid (CAS 6471-78-9), with molecular formula C8H11NO4S and molecular weight 217.04 g/mol. IUPAC: 4-amino-5-methoxy-2-methylbenzenesulfonic acid.
Chemical Property Profile of 4-Amino-5-methoxy-2-toluenesulfonic acid
Property Insights of 4-Amino-5-methoxy-2-toluenesulfonic acid
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-5-methoxy-2-toluenesulfonic acid. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-5-methoxy-2-toluenesulfonic acid. Following Lipinski's Rule of Five, 4-Amino-5-methoxy-2-toluenesulfonic acid has 2 hydrogen bond donor(s) and 5 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-5-methoxy-2-toluenesulfonic acid?
The CAS number of 4-Amino-5-methoxy-2-toluenesulfonic acid is 6471-78-9.
What is the molecular formula of 4-Amino-5-methoxy-2-toluenesulfonic acid?
The molecular formula of 4-Amino-5-methoxy-2-toluenesulfonic acid is C8H11NO4S.
What is the molecular weight of 4-Amino-5-methoxy-2-toluenesulfonic acid?
The molecular weight of 4-Amino-5-methoxy-2-toluenesulfonic acid is 217.04 g/mol.
Where can I buy 4-Amino-5-methoxy-2-toluenesulfonic acid?
You can request a quote for 4-Amino-5-methoxy-2-toluenesulfonic 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-5-methoxy-2-toluenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-5-methoxy-2-toluenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.