1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea
TL;DR: 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea (CAS 499197-64-7) is a chemical compound with molecular formula C16H10F6N2OS and molecular weight 392.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-BENZOYLTHIOUREA, 1-benzoyl-3-[3,5-bis(trifluoromethyl)phenyl]thiourea, N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]benzamide, AO-990/40919431, N-benzoyl-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea
| Molecular Formula | C16H10F6N2OS |
|---|---|
| Molecular Weight | 392.04 g/mol |
| LogP | 4.851 |
| Topological Polar Surface Area | 41.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 392.0418 |
| Heavy Atoms | 26 |
| Complexity | 785.47504 |
Chemical Identifiers
| CAS Number | 499197-64-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea (CAS 499197-64-7), with molecular formula C16H10F6N2OS and molecular weight 392.04 g/mol. IUPAC: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea
Property Insights of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea
The XLogP value of 4.851 indicates that 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.13 Ų, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea has 2 hydrogen bond donor(s) and 2 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-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea?
The CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea is 499197-64-7.
What is the molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea?
The molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea is C16H10F6N2OS.
What is the molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea?
The molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea is 392.04 g/mol.
Where can I buy 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea?
You can request a quote for 1-(3,5-Bis(trifluoromethyl)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-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-benzoylthiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.