1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide
TL;DR: 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide (CAS 1119391-60-4) is a chemical compound with molecular formula C14H11F3N4O2S and molecular weight 356.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(pyridine-4-carbonylamino)-3-[4-(trifluoromethoxy)phenyl]thiourea
Also Known As: 1-(4-PYRIDYLCARBONYL)-4-(4-TRIFLUOROMETHOXYPHENYL)THIOSEMICARBAZIDE, 1-(pyridine-4-carbonylamino)-3-[4-(trifluoromethoxy)phenyl]thiourea, N-({[4-(trifluoromethoxy)phenyl]carbamothioyl}amino)pyridine-4-carboxamide
| Molecular Formula | C14H11F3N4O2S |
|---|---|
| Molecular Weight | 356.06 g/mol |
| LogP | 2.6116 |
| Topological Polar Surface Area | 75.28 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.05548 |
| Heavy Atoms | 24 |
| Complexity | 708.20953 |
Chemical Identifiers
| CAS Number | 1119391-60-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=S)NNC(=O)C2=CC=NC=C2)OC(F)(F)F |
Product Overview
1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide (CAS 1119391-60-4), with molecular formula C14H11F3N4O2S and molecular weight 356.06 g/mol. IUPAC: 1-(pyridine-4-carbonylamino)-3-[4-(trifluoromethoxy)phenyl]thiourea.
Chemical Property Profile of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide
Property Insights of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide
The XLogP value of 2.6116 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide. The TPSA of 75.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide. Following Lipinski's Rule of Five, 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide has 3 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 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide?
The CAS number of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide is 1119391-60-4.
What is the molecular formula of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide?
The molecular formula of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide is C14H11F3N4O2S.
What is the molecular weight of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide?
The molecular weight of 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide is 356.06 g/mol.
Where can I buy 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide?
You can request a quote for 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Pyridylcarbonyl)-4-(4-trifluoromethoxyphenyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.