2-Mercaptobenzothiazole S-Glucuronate
TL;DR: 2-Mercaptobenzothiazole S-Glucuronate (CAS 26400-10-2) is a chemical compound with molecular formula C13H13NO6S2 and molecular weight 343.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 2-Mercaptobenzothiazole S-Glucuronate, Glucosiduronic acid, 2-benzothiazolyl-1-thio-, beta-D-Glucopyranosiduronic acid, 2-benzothiazolyl 1-thio-, 1,3-Benzothiazol-2-yl 1-thiohexopyranosiduronic acid, 1,3-Benzothiazol-2-yl 1-thio-beta-D-glucopyranosiduronic acid
| Molecular Formula | C13H13NO6S2 |
|---|---|
| Molecular Weight | 343.02 g/mol |
| LogP | 0.2806 |
| Topological Polar Surface Area | 120.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 343.01843 |
| Heavy Atoms | 22 |
| Complexity | 658.9751 |
Chemical Identifiers
| CAS Number | 26400-10-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)S[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
2-Mercaptobenzothiazole S-Glucuronate (CAS 26400-10-2), with molecular formula C13H13NO6S2 and molecular weight 343.02 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 2-Mercaptobenzothiazole S-Glucuronate
Property Insights of 2-Mercaptobenzothiazole S-Glucuronate
The XLogP value of 0.2806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Mercaptobenzothiazole S-Glucuronate. The TPSA of 120.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Mercaptobenzothiazole S-Glucuronate. Following Lipinski's Rule of Five, 2-Mercaptobenzothiazole S-Glucuronate has 4 hydrogen bond donor(s) and 8 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-Mercaptobenzothiazole S-Glucuronate?
The CAS number of 2-Mercaptobenzothiazole S-Glucuronate is 26400-10-2.
What is the molecular formula of 2-Mercaptobenzothiazole S-Glucuronate?
The molecular formula of 2-Mercaptobenzothiazole S-Glucuronate is C13H13NO6S2.
What is the molecular weight of 2-Mercaptobenzothiazole S-Glucuronate?
The molecular weight of 2-Mercaptobenzothiazole S-Glucuronate is 343.02 g/mol.
Where can I buy 2-Mercaptobenzothiazole S-Glucuronate?
You can request a quote for 2-Mercaptobenzothiazole S-Glucuronate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Mercaptobenzothiazole S-Glucuronate?
Yes, KEHONG BIO provides custom synthesis services for 2-Mercaptobenzothiazole S-Glucuronate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.