3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester
TL;DR: 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester (CAS 89780-84-7) is a chemical compound with molecular formula C10H8BrNO3S and molecular weight 300.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-bromo-2-oxo-1,3-benzothiazole-3-carboxylate
Also Known As: 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester, Ethyl 6-bromo-2-oxo-1,3-benzothiazole-3(2H)-carboxylate, ethyl 6-bromo-2-oxo-1,3-benzothiazole-3-carboxylate, RefChem:269436
| Molecular Formula | C10H8BrNO3S |
|---|---|
| Molecular Weight | 300.94 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 300.94083 |
| Heavy Atoms | 16 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 89780-84-7 |
|---|---|
| SMILES | CCOC(=O)N1C2=C(C=C(C=C2)Br)SC1=O |
| InChIKey | WGHSBITZWYYFFB-UHFFFAOYSA-N |
Product Overview
3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester (CAS 89780-84-7), with molecular formula C10H8BrNO3S and molecular weight 300.94 g/mol. IUPAC: ethyl 6-bromo-2-oxo-1,3-benzothiazole-3-carboxylate.
Chemical Property Profile of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester
Property Insights of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester
The XLogP value of 3.1 indicates that 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester. Following Lipinski's Rule of Five, 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-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, 6-bromo-2-oxo-, ethyl ester?
The CAS number of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester is 89780-84-7.
What is the molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester?
The molecular formula of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester is C10H8BrNO3S.
What is the molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester?
The molecular weight of 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester is 300.94 g/mol.
Where can I buy 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester?
You can request a quote for 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-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, 6-bromo-2-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3(2H)-Benzothiazolecarboxylic acid, 6-bromo-2-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.