3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester
TL;DR: 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester (CAS 89780-75-6) is a chemical compound with molecular formula C9H7NO3S and molecular weight 209.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-1,3-benzothiazole-3-carboxylate
Also Known As: methyl 2-oxo-1,3-benzothiazole-3-carboxylate, 1,7-Nonadien-4-one,8-methyl, 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester, methyl 2-oxo-1,3-benzothiazole-3(2H)-carboxylate, AO-435/41051497
| Molecular Formula | C9H7NO3S |
|---|---|
| Molecular Weight | 209.01 g/mol |
| LogP | 1.6775 |
| Topological Polar Surface Area | 48.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.01466 |
| Heavy Atoms | 14 |
| Complexity | 540.22577 |
Chemical Identifiers
| CAS Number | 89780-75-6 |
|---|---|
| SMILES | COC(=O)N1C2=CC=CC=C2SC1=O |
Product Overview
3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester (CAS 89780-75-6), with molecular formula C9H7NO3S and molecular weight 209.01 g/mol. IUPAC: methyl 2-oxo-1,3-benzothiazole-3-carboxylate.
Chemical Property Profile of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester
Property Insights of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester
The XLogP value of 1.6775 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester. With a topological polar surface area (TPSA) of 48.3 Ų, 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl 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-, methyl ester?
The CAS number of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester is 89780-75-6.
What is the molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester?
The molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester is C9H7NO3S.
What is the molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester?
The molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester is 209.01 g/mol.
Where can I buy 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester?
You can request a quote for 3(2H)-Benzothiazolecarboxylic acid, 2-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 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.