6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester
TL;DR: 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester (CAS 104388-88-7) is a chemical compound with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-1,3-benzothiazole-6-carboxylate
Also Known As: 2-((Methoxyoxoacetyl)amino)-6-benzothiazolecarboxylic acid ethyl ester, 6-BENZOTHIAZOLECARBOXYLIC ACID, 2-((METHOXYOXOACETYL)AMINO)-, ETHYL ESTER, ethyl 2-{[methoxy(oxo)acetyl]amino}-1,3-benzothiazole-6-carboxylate, ETHYL 2-(2-METHOXY-2-OXOACETAMIDO)-1,3-BENZOTHIAZOLE-6-CARBOXYLATE, ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C13H12N2O5S |
|---|---|
| Molecular Weight | 308.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 123.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 308.0467 |
| Heavy Atoms | 21 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 104388-88-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)C(=O)OC |
| InChIKey | YXSXKZMPSNWLFW-UHFFFAOYSA-N |
Product Overview
6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester (CAS 104388-88-7), with molecular formula C13H12N2O5S and molecular weight 308.05 g/mol. IUPAC: ethyl 2-[(2-methoxy-2-oxoacetyl)amino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester
Property Insights of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester. Following Lipinski's Rule of Five, 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester has 1 hydrogen bond donor(s) and 7 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 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester?
The CAS number of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester is 104388-88-7.
What is the molecular formula of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester?
The molecular formula of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester is C13H12N2O5S.
What is the molecular weight of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester?
The molecular weight of 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester is 308.05 g/mol.
Where can I buy 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester?
You can request a quote for 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 6-Benzothiazolecarboxylic acid, 2-((methoxyoxoacetyl)amino)-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.