4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-
TL;DR: 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- (CAS 67953-06-4) 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-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid
Also Known As: 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-, 2-(4-Aminophenyl)-6-methyl-4,7-benzothiazoledisulfonic acid, 4,7-Benzothiazoledisulfonic acid, 2-(p-aminophenyl)-6-methyl-, 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid, RefChem:96713
| Molecular Formula | C14H12N2O6S3 |
|---|---|
| Molecular Weight | 399.99 g/mol |
| LogP | 1.2 |
| 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 | 693.0 |
Chemical Identifiers
| CAS Number | 67953-06-4 |
|---|---|
| SMILES | CC1=CC(=C2C(=C1S(=O)(=O)O)SC(=N2)C3=CC=C(C=C3)N)S(=O)(=O)O |
| InChIKey | KRKQLIVPQZLAKY-UHFFFAOYSA-N |
Product Overview
4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- (CAS 67953-06-4), with molecular formula C14H12N2O6S3 and molecular weight 399.99 g/mol. IUPAC: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-4,7-disulfonic acid.
Chemical Property Profile of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-
Property Insights of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-. The TPSA of 193.0 Ų indicates high polarity, suggesting 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- 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 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-?
The CAS number of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- is 67953-06-4.
What is the molecular formula of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-?
The molecular formula of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- is C14H12N2O6S3.
What is the molecular weight of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-?
The molecular weight of 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- is 399.99 g/mol.
Where can I buy 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-?
You can request a quote for 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4,7-Benzothiazoledisulfonic acid, 2-(4-aminophenyl)-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.