1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone
TL;DR: 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone (CAS 101931-71-9) is a chemical compound with molecular formula C13H13F6N3OS and molecular weight 373.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea
Also Known As: 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone, 2-Pentanone, 2-hydroxy-5-phenyl-1,1,1-trifluoro-2-(trifluoromethyl)-, 3-thiosemicarbazone, [(E)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea, RefChem:1064081
| Molecular Formula | C13H13F6N3OS |
|---|---|
| Molecular Weight | 373.07 g/mol |
| LogP | 2.6641 |
| Topological Polar Surface Area | 70.64 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.06836 |
| Heavy Atoms | 24 |
| Complexity | 585.96484 |
Chemical Identifiers
| CAS Number | 101931-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C/C(=N\NC(=S)N)/CC(C(F)(F)F)(C(F)(F)F)O |
Product Overview
1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone (CAS 101931-71-9), with molecular formula C13H13F6N3OS and molecular weight 373.07 g/mol. IUPAC: [(E)-[5,5,5-trifluoro-4-hydroxy-1-phenyl-4-(trifluoromethyl)pentan-2-ylidene]amino]thiourea.
Chemical Property Profile of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone
Property Insights of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone
The XLogP value of 2.6641 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone. The TPSA of 70.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone. Following Lipinski's Rule of Five, 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone has 3 hydrogen bond donor(s) and 3 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 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone?
The CAS number of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone is 101931-71-9.
What is the molecular formula of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone?
The molecular formula of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone is C13H13F6N3OS.
What is the molecular weight of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone?
The molecular weight of 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone is 373.07 g/mol.
Where can I buy 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone?
You can request a quote for 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone?
Yes, KEHONG BIO provides custom synthesis services for 1,1,1-Trifluoro-2-hydroxy-5-phenyl-2-(trifluoromethyl)-4-pentanone, thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.