4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid
TL;DR: 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid (CAS 695204-41-2) is a chemical compound with molecular formula C12H8F3N3O3S and molecular weight 331.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid
Also Known As: A3526/0149323, 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid, 4-amino-3-((3-(trifluoromethyl)phenyl)carbamoyl)isothiazole-5-carboxylic acid, 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid, 4-AMINO-3-{[3-(TRIFLUOROMETHYL)ANILINO]CARBONYL}-5-ISOTHIAZOLECARBOXYLIC ACID
| Molecular Formula | C12H8F3N3O3S |
|---|---|
| Molecular Weight | 331.02 g/mol |
| LogP | 2.6946 |
| Topological Polar Surface Area | 105.31 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.02383 |
| Heavy Atoms | 22 |
| Complexity | 742.70306 |
Chemical Identifiers
| CAS Number | 695204-41-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC(=O)C2=NSC(=C2N)C(=O)O)C(F)(F)F |
Product Overview
4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid (CAS 695204-41-2), with molecular formula C12H8F3N3O3S and molecular weight 331.02 g/mol. IUPAC: 4-amino-3-[[3-(trifluoromethyl)phenyl]carbamoyl]-1,2-thiazole-5-carboxylic acid.
Chemical Property Profile of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid
Property Insights of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid
The XLogP value of 2.6946 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid. The TPSA of 105.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid has 3 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 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid?
The CAS number of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid is 695204-41-2.
What is the molecular formula of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid?
The molecular formula of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid is C12H8F3N3O3S.
What is the molecular weight of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid?
The molecular weight of 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid is 331.02 g/mol.
Where can I buy 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid?
You can request a quote for 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Amino-3-(3-trifluoromethylphenylcarbamoyl)isothiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.