Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester
TL;DR: Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-89-8) is a chemical compound with molecular formula C10H9N3O5S2 and molecular weight 315.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate
Also Known As: ((6-(Aminosulfonyl)-2-benzothiazolyl)amino)oxoacetic acid methyl ester, ACETIC ACID, ((6-(AMINOSULFONYL)-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER, methyl 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate, methyl oxo[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate, ((6-(Aminosulfonyl)-2-benzothiazolyl)amino)oxoaceticacidmethylester
| Molecular Formula | C10H9N3O5S2 |
|---|---|
| Molecular Weight | 315.00 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.99835 |
| Heavy Atoms | 20 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 104388-89-8 |
|---|---|
| SMILES | COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)S(=O)(=O)N |
| InChIKey | UITKVBJTTGJECN-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-89-8), with molecular formula C10H9N3O5S2 and molecular weight 315.00 g/mol. IUPAC: methyl 2-oxo-2-[(6-sulfamoyl-1,3-benzothiazol-2-yl)amino]acetate.
Chemical Property Profile of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester
Property Insights of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester. The TPSA of 165.0 Ų indicates high polarity, suggesting Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester has 2 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 Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester?
The CAS number of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester is 104388-89-8.
What is the molecular formula of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular formula of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester is C10H9N3O5S2.
What is the molecular weight of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular weight of Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester is 315.00 g/mol.
Where can I buy Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester?
You can request a quote for Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-(aminosulfonyl)-2-benzothiazolyl)amino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.