1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea
TL;DR: 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea (CAS 13795-11-4) is a chemical compound with molecular formula C17H14F6N2OS and molecular weight 408.0731 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea
Also Known As: 1-(3,5-BIS(TRIFLUOROMETHYL)PHENYL)-3-((4-METHOXYPHENYL)METHYL)THIOUREA, 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(4-methoxyphenyl)methyl]thiourea, 3-[3,5-bis(trifluoromethyl)phenyl]-1-[(4-methoxyphenyl)methyl]thiourea, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-(4-methoxybenzyl)thiourea
Technical Specifications
| Molecular Formula | C17H14F6N2OS |
| Molecular Weight | 408.0731 g/mol |
| XLogP | 4.8 |
| Topological Polar Surface Area (TPSA) | 65.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.0731 Da |
| Heavy Atoms | 27 |
| Complexity | 469.0 |
| SMILES | COC1=CC=C(C=C1)CNC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
| InChIKey | HURBEKBJKMJVJM-UHFFFAOYSA-N |
Chemical Property Profile of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea
Property Insights of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea
The XLogP value of 4.8 indicates that 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea. Following Lipinski's Rule of Five, 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea?
The CAS number of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea is 13795-11-4.
What is the molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea?
The molecular formula of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea is C17H14F6N2OS.
What is the molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea?
The molecular weight of 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea is 408.0731 g/mol.
Where can I buy 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea?
You can request a quote for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea?
Yes, CoreyChem provides custom synthesis services for 1-(3,5-Bis(trifluoromethyl)phenyl)-3-((4-methoxyphenyl)methyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.