Glucosiduronic acid, 2-benzothiazolyl-1-thio-
TL;DR: Glucosiduronic acid, 2-benzothiazolyl-1-thio- (CAS 452-44-8) 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)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: Glucosiduronic acid, 2-benzothiazolyl-1-thio-, (2S,3S,4S,5R)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic 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 | 452-44-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)SC3[C@@H]([C@H]([C@@H]([C@H](O3)C(=O)O)O)O)O |
Product Overview
Glucosiduronic acid, 2-benzothiazolyl-1-thio- (CAS 452-44-8), with molecular formula C13H13NO6S2 and molecular weight 343.02 g/mol. IUPAC: (2S,3S,4S,5R)-6-(1,3-benzothiazol-2-ylsulfanyl)-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of Glucosiduronic acid, 2-benzothiazolyl-1-thio-
Property Insights of Glucosiduronic acid, 2-benzothiazolyl-1-thio-
The XLogP value of 0.2806 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Glucosiduronic acid, 2-benzothiazolyl-1-thio-. The TPSA of 120.11 Ų falls within the moderate polarity range, balancing permeability and solubility for Glucosiduronic acid, 2-benzothiazolyl-1-thio-. Following Lipinski's Rule of Five, Glucosiduronic acid, 2-benzothiazolyl-1-thio- 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 Glucosiduronic acid, 2-benzothiazolyl-1-thio-?
The CAS number of Glucosiduronic acid, 2-benzothiazolyl-1-thio- is 452-44-8.
What is the molecular formula of Glucosiduronic acid, 2-benzothiazolyl-1-thio-?
The molecular formula of Glucosiduronic acid, 2-benzothiazolyl-1-thio- is C13H13NO6S2.
What is the molecular weight of Glucosiduronic acid, 2-benzothiazolyl-1-thio-?
The molecular weight of Glucosiduronic acid, 2-benzothiazolyl-1-thio- is 343.02 g/mol.
Where can I buy Glucosiduronic acid, 2-benzothiazolyl-1-thio-?
You can request a quote for Glucosiduronic acid, 2-benzothiazolyl-1-thio- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucosiduronic acid, 2-benzothiazolyl-1-thio-?
Yes, KEHONG BIO provides custom synthesis services for Glucosiduronic acid, 2-benzothiazolyl-1-thio- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.