![1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea structure](/static/products/7019/701929-81-9.webp)
1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
TL;DR: 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (CAS 701929-81-9) is a chemical compound with molecular formula C16H13F3N2O2S and molecular weight 354.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
Also Known As: 1-(3-acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea, 1-acetyl-3-[(thioxo{[4-(trifluoromethoxy)phenyl]amino}methyl)amino]benzene
| Molecular Formula | C16H13F3N2O2S |
|---|---|
| Molecular Weight | 354.06 g/mol |
| LogP | 4.5967 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.06497 |
| Heavy Atoms | 24 |
| Complexity | 745.7329 |
Chemical Identifiers
| CAS Number | 701929-81-9 |
|---|---|
| SMILES | CC(=O)C1=CC(=CC=C1)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (CAS 701929-81-9), with molecular formula C16H13F3N2O2S and molecular weight 354.06 g/mol. IUPAC: 1-(3-acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea.
Chemical Property Profile of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
Property Insights of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
The XLogP value of 4.5967 indicates that 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.36 Ų, 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea has 2 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-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The CAS number of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is 701929-81-9.
What is the molecular formula of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The molecular formula of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is C16H13F3N2O2S.
What is the molecular weight of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The molecular weight of 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is 354.06 g/mol.
Where can I buy 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
You can request a quote for 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Acetylphenyl)-3-[4-(trifluoromethoxy)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.