Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester
TL;DR: Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester (CAS 104388-86-5) is a chemical compound with molecular formula C10H7BrN2O3S and molecular weight 313.93607 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate
Also Known As: Benzothiazolyl-2-oxaminic acid, 6-bromo-, methyl ester, ACETIC ACID, ((6-BROMO-2-BENZOTHIAZOLYL)AMINO)OXO-, METHYL ESTER, ((6-Bromo-2-benzothiazolyl)amino)oxoacetic acid methyl ester, methyl 2-[(6-bromo-1,3-benzothiazol-2-yl)amino]-2-oxoacetate, Methyl [(6-bromo-1,3-benzothiazol-2-yl)amino](oxo)acetate
Technical Specifications
| Molecular Formula | C10H7BrN2O3S |
| Molecular Weight | 313.93607 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 96.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.93607 Da |
| Heavy Atoms | 17 |
| Complexity | 329.0 |
| SMILES | COC(=O)C(=O)NC1=NC2=C(S1)C=C(C=C2)Br |
| InChIKey | LOOZHJWSYCQZEQ-UHFFFAOYSA-N |
Chemical Property Profile of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester
Property Insights of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester. 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-, methyl ester. Following Lipinski's Rule of Five, Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl 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
What is the CAS number of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester?
The CAS number of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester is 104388-86-5.
What is the molecular formula of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular formula of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester is C10H7BrN2O3S.
What is the molecular weight of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester?
The molecular weight of Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester is 313.93607 g/mol.
Where can I buy Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester?
You can request a quote for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester?
Yes, CoreyChem provides custom synthesis services for Acetic acid, ((6-bromo-2-benzothiazolyl)amino)oxo-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.