![7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one structure](/static/products/489/489419-69-4.png)
7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one
TL;DR: 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one (CAS 489419-69-4) is a chemical compound with molecular formula C13H6F6N4O5S2 and molecular weight 475.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(4-nitrophenyl)sulfonyl-2,2-bis(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
Also Known As: 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one, 7-({4-nitrophenyl}sulfonyl)-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one, 7-(4-nitrophenyl)sulfonyl-2,2-bis(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one, 7-[(4-nitrophenyl)sulfonyl]-2,2-bis(trifluoromethyl)-2,3-dihydro-4H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one
| Molecular Formula | C13H6F6N4O5S2 |
|---|---|
| Molecular Weight | 475.97 g/mol |
| LogP | 3.1163 |
| Topological Polar Surface Area | 121.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 475.96838 |
| Heavy Atoms | 30 |
| Complexity | 1080.5021 |
Chemical Identifiers
| CAS Number | 489419-69-4 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)C2=CN3C(=O)NC(N=C3S2)(C(F)(F)F)C(F)(F)F |
Product Overview
7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one (CAS 489419-69-4), with molecular formula C13H6F6N4O5S2 and molecular weight 475.97 g/mol. IUPAC: 7-(4-nitrophenyl)sulfonyl-2,2-bis(trifluoromethyl)-3H-[1,3]thiazolo[3,2-a][1,3,5]triazin-4-one.
Chemical Property Profile of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one
Property Insights of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one
The XLogP value of 3.1163 indicates that 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one. Following Lipinski's Rule of Five, 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one has 1 hydrogen bond donor(s) and 7 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 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one?
The CAS number of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one is 489419-69-4.
What is the molecular formula of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one?
The molecular formula of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one is C13H6F6N4O5S2.
What is the molecular weight of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one?
The molecular weight of 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one is 475.97 g/mol.
Where can I buy 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one?
You can request a quote for 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one?
Yes, KEHONG BIO provides custom synthesis services for 7-((4-nitrophenyl)sulfonyl)-2,2-bis(trifluoromethyl)-2H-thiazolo[3,2-a][1,3,5]triazin-4(3H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.