Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester
TL;DR: Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester (CAS 84761-95-5) is a chemical compound with molecular formula C11H9BrN2O3S and molecular weight 327.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Also Known As: ((6-Bromo-2-benzothiazolyl)amino)oxoacetic acid ethyl ester, Benzothiazolyl-2-oxaminic acid, 6-bromo-, ethyl ester, ACETIC ACID, ((6-BROMO-2-BENZOTHIAZOLYL)AMINO)OXO-, ETHYL ESTER, ethyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate, Ethyl [(6-bromo-1,3-benzothiazol-2-yl)amino](oxo)acetate
| Molecular Formula | C11H9BrN2O3S |
|---|---|
| Molecular Weight | 327.95 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.95172 |
| Heavy Atoms | 18 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 84761-95-5 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Br |
| InChIKey | GMQRCZGPJFAZIB-UHFFFAOYSA-N |
Product Overview
Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester (CAS 84761-95-5), with molecular formula C11H9BrN2O3S and molecular weight 327.95 g/mol. IUPAC: ethyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate.
Chemical Property Profile of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester
Property Insights of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester
The XLogP value of 3.2 indicates that Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester has 1 hydrogen bond donor(s) and 5 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-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester?
The CAS number of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester is 84761-95-5.
What is the molecular formula of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester?
The molecular formula of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester is C11H9BrN2O3S.
What is the molecular weight of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester?
The molecular weight of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester is 327.95 g/mol.
Where can I buy Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester?
You can request a quote for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)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 Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.