![3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile structure](/static/products/2871/287196-91-2.webp)
3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile
TL;DR: 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile (CAS 287196-91-2) is a chemical compound with molecular formula C11H6F3N3OS and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-oxo-5-[2-(trifluoromethyl)anilino]-1,2-thiazole-4-carbonitrile
Also Known As: Maybridge1_006339, 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile, 3-Hydroxy-4-carboxyalkylamidino-5-arylamino-isothiazoles, 3-hydroxy-5-[2-(trifluoromethyl)anilino]isothiazole-4-carbonitrile, 3-oxo-5-[2-(trifluoromethyl)anilino]-1,2-thiazole-4-carbonitrile
| Molecular Formula | C11H6F3N3OS |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | 3.07048 |
| Topological Polar Surface Area | 68.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.01837 |
| Heavy Atoms | 19 |
| Complexity | 696.1866 |
Chemical Identifiers
| CAS Number | 287196-91-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)NC2=C(C(=O)NS2)C#N |
Product Overview
3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile (CAS 287196-91-2), with molecular formula C11H6F3N3OS and molecular weight 285.02 g/mol. IUPAC: 3-oxo-5-[2-(trifluoromethyl)anilino]-1,2-thiazole-4-carbonitrile.
Chemical Property Profile of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile
Property Insights of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile
The XLogP value of 3.07048 indicates that 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile. Following Lipinski's Rule of Five, 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile has 2 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-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile?
The CAS number of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile is 287196-91-2.
What is the molecular formula of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile?
The molecular formula of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile is C11H6F3N3OS.
What is the molecular weight of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile?
The molecular weight of 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile is 285.02 g/mol.
Where can I buy 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile?
You can request a quote for 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Oxo-5-[[2-(trifluoromethyl)phenyl]amino]-2,3-dihydroisothiazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.