7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
TL;DR: 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- (CAS 130-17-6) is a chemical compound with molecular formula C14H12N2O3S2 and molecular weight 320.03 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-7-sulfonic acid
Also Known As: hydrogensulfite, 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid, Dehydrothio-p-toluidinesulfonic acid, Maybridge1_002523, p-(6-Methyl-7-sulfobenzothiazole)aniline
| Molecular Formula | C14H12N2O3S2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 320.02893 |
| Heavy Atoms | 21 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 130-17-6 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O |
| InChIKey | KGZUHYIHYBDNLC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- (CAS 130-17-6), with molecular formula C14H12N2O3S2 and molecular weight 320.03 g/mol. IUPAC: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
Property Insights of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-. Following Lipinski's Rule of Five, 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- has 2 hydrogen bond donor(s) and 6 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 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-?
The CAS number of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- is 130-17-6.
What is the molecular formula of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-?
The molecular formula of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- is C14H12N2O3S2.
What is the molecular weight of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-?
The molecular weight of 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- is 320.03 g/mol.
Where can I buy 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-?
You can request a quote for 7-Benzothiazolesulfonic acid, 2-(p-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 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzothiazolesulfonic acid, 2-(p-aminophenyl)-6-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.