4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide
TL;DR: 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide (CAS 1024449-08-8) is a chemical compound with molecular formula C17H16F3N3O3S and molecular weight 399.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea
Also Known As: 4-(4-METHYLPHENYL)-1-(2-(4-(TRIFLUOROMETHOXY)PHENOXY)ACETYL)THIOSEMICARBAZIDE, 1-(4-methylphenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea, N-{[(4-methylphenyl)carbamothioyl]amino}-2-[4-(trifluoromethoxy)phenoxy]acetamide, 1-(p-tolyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea, N-(p-Tolyl)-2-(2-(4-(trifluoromethoxy)phenoxy)acetyl)hydrazine-1-carbothioamide
| Molecular Formula | C17H16F3N3O3S |
|---|---|
| Molecular Weight | 399.09 g/mol |
| LogP | 3.29022 |
| Topological Polar Surface Area | 71.62 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 399.08646 |
| Heavy Atoms | 27 |
| Complexity | 780.7509 |
Chemical Identifiers
| CAS Number | 1024449-08-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)NC(=S)NNC(=O)COC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide (CAS 1024449-08-8), with molecular formula C17H16F3N3O3S and molecular weight 399.09 g/mol. IUPAC: 1-(4-methylphenyl)-3-[[2-[4-(trifluoromethoxy)phenoxy]acetyl]amino]thiourea.
Chemical Property Profile of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide
Property Insights of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide
The XLogP value of 3.29022 indicates that 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide. Following Lipinski's Rule of Five, 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)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 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide?
The CAS number of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide is 1024449-08-8.
What is the molecular formula of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide?
The molecular formula of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide is C17H16F3N3O3S.
What is the molecular weight of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide?
The molecular weight of 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide is 399.09 g/mol.
Where can I buy 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide?
You can request a quote for 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-Methylphenyl)-1-(2-(4-(trifluoromethoxy)phenoxy)acetyl)thiosemicarbazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.