7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt
TL;DR: 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt (CAS 80890-42-2) is a chemical compound with molecular formula C20H27N3O6S2 and molecular weight 469.13 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;2-[bis(2-hydroxyethyl)amino]ethanol
Also Known As: 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt, 7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris(ethanol) (1:1), 7-Benzothiazolesulfonic acid, 2-(4-aminophenyl)-6-methyl-, compd. with 2,2',2''-nitrilotris[ethanol] (1:1), 2-(4-Aminophenyl)-6-methylbenzothiazole-7-sulphonic acid, compoundwith 2,2',2''-nitrilotris(ethanol) (1:1), 2-(4-Aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid--2,2',2''-nitrilotri(ethan-1-ol) (1/1)
| Molecular Formula | C20H27N3O6S2 |
|---|---|
| Molecular Weight | 469.13 g/mol |
| LogP | 1.36592 |
| Topological Polar Surface Area | 194.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.13412 |
| Heavy Atoms | 31 |
| Complexity | 527.0 |
Chemical Identifiers
| CAS Number | 80890-42-2 |
|---|---|
| SMILES | CC1=C(C2=C(C=C1)N=C(S2)C3=CC=C(C=C3)N)S(=O)(=O)O.C(CO)N(CCO)CCO |
| InChIKey | QDDVIQOJFQOVJW-UHFFFAOYSA-N |
Product Overview
7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt (CAS 80890-42-2), with molecular formula C20H27N3O6S2 and molecular weight 469.13 g/mol. IUPAC: 2-(4-aminophenyl)-6-methyl-1,3-benzothiazole-7-sulfonic acid;2-[bis(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt
Property Insights of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt
The XLogP value of 1.36592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt. The TPSA of 194.0 Ų indicates high polarity, suggesting 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt has 5 hydrogen bond donor(s) and 10 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-, triethanolamine salt?
The CAS number of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt is 80890-42-2.
What is the molecular formula of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt?
The molecular formula of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt is C20H27N3O6S2.
What is the molecular weight of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt?
The molecular weight of 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt is 469.13 g/mol.
Where can I buy 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt?
You can request a quote for 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt 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-, triethanolamine salt?
Yes, KEHONG BIO provides custom synthesis services for 7-Benzothiazolesulfonic acid, 2(-p-aminophenyl)-6-methyl-, triethanolamine salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.