RefChem:204299
TL;DR: RefChem:204299 (CAS 141421-44-5) is a chemical compound with molecular formula C14H9F3N6OS and molecular weight 366.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-[2-[2-(trifluoromethyl)phenyl]ethyl]-10-thia-1,4,5,6,8,12-hexazatricyclo[7.3.0.03,7]dodeca-3,6,8,11-tetraen-2-one
Also Known As: (1,3,4)Thiadiazolo(3,2-a)-1,2,3-triazolo(4,5-d)pyrimidin-9(1H)-one, (2-(2-(2-(trifluoromethyl)phenyl)ethyl)-, 11-{2-[2-(trifluoromethyl)phenyl]ethyl}-10-thia-1,4,5,6,8,12-hexaazatricyclo[7.3.0.03,7]dodeca-3(7),4,8,11-tetraen-2-one, 6-(2-Trifluoromethylphenethyl)[1,3,4]thiadiazolo[3,2-a]-1,2,3-triazolo[4,5-d]pyrimidin-9(3H)-one, 6-{2-[2-(Trifluoromethyl)phenyl]ethyl}[1,3,4]thiadiazolo[3,2-a][1,2,3]triazolo[4,5-d]pyrimidin-9(2H)-one, BRN 5460098
Technical Specifications
| Molecular Formula | C14H9F3N6OS |
| Molecular Weight | 366.05106 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.05106 Da |
| Heavy Atoms | 25 |
| Complexity | 624.0 |
| SMILES | C1=CC=C(C(=C1)CCC2=NN3C(=O)C4=NNN=C4N=C3S2)C(F)(F)F |
| InChIKey | PORVWJCATLTNHZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:204299
Property Insights of RefChem:204299
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:204299. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:204299. Following Lipinski's Rule of Five, RefChem:204299 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:204299?
The CAS number of RefChem:204299 is 141421-44-5.
What is the molecular formula of RefChem:204299?
The molecular formula of RefChem:204299 is C14H9F3N6OS.
What is the molecular weight of RefChem:204299?
The molecular weight of RefChem:204299 is 366.05106 g/mol.
Where can I buy RefChem:204299?
You can request a quote for RefChem:204299 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:204299?
Yes, CoreyChem provides custom synthesis services for RefChem:204299 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.