![6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione structure](/static/products/6506/650635-91-9.webp)
6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione
TL;DR: 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione (CAS 650635-91-9) is a chemical compound with molecular formula C14H7F3N2O2S and molecular weight 324.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-(trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione
Also Known As: 6-[4-(trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione, 6-[N-(4-Trifluorophenyl)amino]-4,7-dioxobenzothiazole, 4,7-Benzothiazoledione, 6-[[4-(trifluoromethyl)phenyl]amino]-, 4,7-Benzothiazoledione,6-[[4-(trifluoromethyl)phenyl]amino]
| Molecular Formula | C14H7F3N2O2S |
|---|---|
| Molecular Weight | 324.02 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 87.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.01804 |
| Heavy Atoms | 22 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 650635-91-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(F)(F)F)NC2=CC(=O)C3=C(C2=O)SC=N3 |
| InChIKey | PYZAAIIPFTYFJL-UHFFFAOYSA-N |
Product Overview
6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione (CAS 650635-91-9), with molecular formula C14H7F3N2O2S and molecular weight 324.02 g/mol. IUPAC: 6-[4-(trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione.
Chemical Property Profile of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione
Property Insights of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione
The XLogP value of 3.8 indicates that 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione. Following Lipinski's Rule of Five, 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione has 1 hydrogen bond donor(s) and 8 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 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione?
The CAS number of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione is 650635-91-9.
What is the molecular formula of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione?
The molecular formula of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione is C14H7F3N2O2S.
What is the molecular weight of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione?
The molecular weight of 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione is 324.02 g/mol.
Where can I buy 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione?
You can request a quote for 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[4-(Trifluoromethyl)anilino]-1,3-benzothiazole-4,7-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.