1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea
TL;DR: 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea (CAS 163490-80-0) is a chemical compound with molecular formula C15H11F3N2O2S and molecular weight 340.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]benzamide
Also Known As: starbld0026832, 1-(4-(TRIFLUOROMETHOXY)PHENYL)-3-BENZOYLTHIOUREA, 3-benzoyl-1-[4-(trifluoromethoxy)phenyl]thiourea, N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]benzamide, N-((4-(Trifluoromethoxy)phenyl)carbamothioyl)benzamide
| Molecular Formula | C15H11F3N2O2S |
|---|---|
| Molecular Weight | 340.05 g/mol |
| LogP | 3.712 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.04935 |
| Heavy Atoms | 23 |
| Complexity | 688.1182 |
Chemical Identifiers
| CAS Number | 163490-80-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)OC(F)(F)F |
Product Overview
1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea (CAS 163490-80-0), with molecular formula C15H11F3N2O2S and molecular weight 340.05 g/mol. IUPAC: N-[[4-(trifluoromethoxy)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea
Property Insights of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea
The XLogP value of 3.712 indicates that 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea 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-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea 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-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea?
The CAS number of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea is 163490-80-0.
What is the molecular formula of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea?
The molecular formula of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea is C15H11F3N2O2S.
What is the molecular weight of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea?
The molecular weight of 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea is 340.05 g/mol.
Where can I buy 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea?
You can request a quote for 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-(Trifluoromethoxy)phenyl)-3-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.