7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-
TL;DR: 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- (CAS 3181-86-0) is a chemical compound with molecular formula C18H14N2O3S2 and molecular weight 370.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid
Also Known As: 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-, 6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid, 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolyl)-, 6-Methyl-2-(2-methyl-6-quinolyl)benzothiazole-7-sulphonic acid, 6-Methyl-2-(2-methylquinolin-6-yl)benzo[d]thiazole-7-sulfonic acid
| Molecular Formula | C18H14N2O3S2 |
|---|---|
| Molecular Weight | 370.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.0446 |
| Heavy Atoms | 25 |
| Complexity | 594.0 |
Chemical Identifiers
| CAS Number | 3181-86-0 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC4=C(C=C3)N=C(C=C4)C)S(=O)(=O)O |
| InChIKey | WXSWCUFLXDRACR-UHFFFAOYSA-N |
Product Overview
7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- (CAS 3181-86-0), with molecular formula C18H14N2O3S2 and molecular weight 370.04 g/mol. IUPAC: 6-methyl-2-(2-methylquinolin-6-yl)-1,3-benzothiazole-7-sulfonic acid.
Chemical Property Profile of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-
Property Insights of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-
The XLogP value of 3.8 indicates that 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-. Following Lipinski's Rule of Five, 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- has 1 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, 6-methyl-2-(2-methyl-6-quinolinyl)-?
The CAS number of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- is 3181-86-0.
What is the molecular formula of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-?
The molecular formula of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- is C18H14N2O3S2.
What is the molecular weight of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-?
The molecular weight of 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- is 370.04 g/mol.
Where can I buy 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)-?
You can request a quote for 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- 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, 6-methyl-2-(2-methyl-6-quinolinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzothiazolesulfonic acid, 6-methyl-2-(2-methyl-6-quinolinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.