2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid
TL;DR: 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid (CAS 225525-50-8) is a chemical compound with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid
Also Known As: 2-((tert-butoxycarbonyl)amino)benzo[d]thiazole-6-carboxylic acid, 2-N-Boc-amino-4-benzothiazole-6-carboxylic acid, 2-N-Boc-aminobenzothiazole-6-carboxylic acid, 2-N-Boc-Amino-benzothiazole-6-carboxylic acid, Methylene Green zinc chloride double salt
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 3.3415 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 672.5513 |
Chemical Identifiers
| CAS Number | 225525-50-8 |
|---|---|
| SMILES | CC(C)(C)OC(=O)NC1=NC2=C(S1)C=C(C=C2)C(=O)O |
Product Overview
2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid (CAS 225525-50-8), with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol. IUPAC: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-benzothiazole-6-carboxylic acid.
Chemical Property Profile of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid
Property Insights of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid
The XLogP value of 3.3415 indicates that 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid. Following Lipinski's Rule of Five, 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid has 2 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 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid?
The CAS number of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid is 225525-50-8.
What is the molecular formula of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid?
The molecular formula of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid is C13H14N2O4S.
What is the molecular weight of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid?
The molecular weight of 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid is 294.07 g/mol.
Where can I buy 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid?
You can request a quote for 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1,1-Dimethylethoxy)carbonyl)amino)-6-benzothiazolecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.