2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid
TL;DR: 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid (CAS 5855-98-1) is a chemical compound with molecular formula C14H12N2O6S3 and molecular weight 399.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid
Also Known As: NAPHTHOLAS-SW, 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid, 7-Benzothiazolesulfonic acid, 2-(4-amino-3-sulfophenyl)-6-methyl-, 2-(4-Amino-3-sulphophenyl)-6-methylbenzothiazole-7-sulphonic acid, 2-(4'-Aminophenyl)-6-methylbenzene-thiazole-3',7-disulfonic acid
| Molecular Formula | C14H12N2O6S3 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.98575 |
| Heavy Atoms | 25 |
| Complexity | 701.0 |
Chemical Identifiers
| CAS Number | 5855-98-1 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC(=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O |
| InChIKey | ANZCWTMNWQPOQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid (CAS 5855-98-1), with molecular formula C14H12N2O6S3 and molecular weight 399.99 g/mol. IUPAC: 2-(4-amino-3-sulfophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid
Property Insights of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid. The TPSA of 193.0 Ų indicates high polarity, suggesting 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid has 3 hydrogen bond donor(s) and 9 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-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid?
The CAS number of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid is 5855-98-1.
What is the molecular formula of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid?
The molecular formula of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid is C14H12N2O6S3.
What is the molecular weight of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid?
The molecular weight of 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid is 399.99 g/mol.
Where can I buy 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid?
You can request a quote for 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic 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-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Amino-3-sulfophenyl)-6-methyl-7-benzothiazolesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.