3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester
TL;DR: 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester (CAS 89780-76-7) is a chemical compound with molecular formula C10H9NO3S and molecular weight 223.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1,3-benzothiazole-3-carboxylate
Also Known As: TimTec1_005021, ethyl 2-oxo-1,3-benzothiazole-3-carboxylate, 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester, ethyl 2-oxo-2,3-dihydro-1,3-benzothiazole-3-carboxylate, Ethyl 2-oxo-1,3-benzothiazole-3(2H)-carboxylate
| Molecular Formula | C10H9NO3S |
|---|---|
| Molecular Weight | 223.03 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 223.03032 |
| Heavy Atoms | 15 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 89780-76-7 |
|---|---|
| SMILES | CCOC(=O)N1C2=CC=CC=C2SC1=O |
| InChIKey | MZYIKOMBADGICC-UHFFFAOYSA-N |
Product Overview
3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester (CAS 89780-76-7), with molecular formula C10H9NO3S and molecular weight 223.03 g/mol. IUPAC: ethyl 2-oxo-1,3-benzothiazole-3-carboxylate.
Chemical Property Profile of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester
Property Insights of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester. Following Lipinski's Rule of Five, 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester has 0 hydrogen bond donor(s) and 4 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 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester?
The CAS number of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester is 89780-76-7.
What is the molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester?
The molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester is C10H9NO3S.
What is the molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester?
The molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester is 223.03 g/mol.
Where can I buy 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester?
You can request a quote for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.