2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid
TL;DR: 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid (CAS 104388-91-2) is a chemical compound with molecular formula C9H7N3O5S2 and molecular weight 300.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid
Also Known As: ((6-(Aminosulfonyl)-2-benzothiazolyl)amino)oxoacetic acid, ACETIC ACID, ((6-(AMINOSULFONYL)-2-BENZOTHIAZOLYL)AMINO)OXO-, 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid, oxo[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid, ((6-(Aminosulfonyl)-2-benzothiazolyl)amino)oxoaceticacid
| Molecular Formula | C9H7N3O5S2 |
|---|---|
| Molecular Weight | 300.98 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 176.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 300.98273 |
| Heavy Atoms | 19 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 104388-91-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1S(=O)(=O)N)SC(=N2)NC(=O)C(=O)O |
| InChIKey | PPUXJBOTXZYULM-UHFFFAOYSA-N |
Product Overview
2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid (CAS 104388-91-2), with molecular formula C9H7N3O5S2 and molecular weight 300.98 g/mol. IUPAC: 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetic acid.
Chemical Property Profile of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid
Property Insights of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid. The TPSA of 176.0 Ų indicates high polarity, suggesting 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid has 3 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-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid?
The CAS number of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid is 104388-91-2.
What is the molecular formula of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid?
The molecular formula of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid is C9H7N3O5S2.
What is the molecular weight of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid?
The molecular weight of 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid is 300.98 g/mol.
Where can I buy 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid?
You can request a quote for 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-((6-(Aminosulfonyl)-2-benzothiazolyl)amino)-2-oxoacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.