![1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea structure](/static/products/7482/74822-79-0.webp)
1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea
TL;DR: 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea (CAS 74822-79-0) is a chemical compound with molecular formula C18H17F3N2O4S and molecular weight 414.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4,5-trimethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide
Also Known As: AB00082993-01, 1-[3-(TRIFLUOROMETHYL)PHENYL]-3-(3,4,5-TRIMETHOXYBENZOYL)THIOUREA, N-(thioxo{[3-(trifluoromethyl)phenyl]amino}methyl)(3,4,5-trimethoxyphenyl)carb oxamide
| Molecular Formula | C18H17F3N2O4S |
|---|---|
| Molecular Weight | 414.09 g/mol |
| LogP | 3.858 |
| Topological Polar Surface Area | 68.82 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 414.08612 |
| Heavy Atoms | 28 |
| Complexity | 862.3698 |
Chemical Identifiers
| CAS Number | 74822-79-0 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)NC(=S)NC2=CC=CC(=C2)C(F)(F)F |
Product Overview
1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea (CAS 74822-79-0), with molecular formula C18H17F3N2O4S and molecular weight 414.09 g/mol. IUPAC: 3,4,5-trimethoxy-N-[[3-(trifluoromethyl)phenyl]carbamothioyl]benzamide.
Chemical Property Profile of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea
Property Insights of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea
The XLogP value of 3.858 indicates that 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea. Following Lipinski's Rule of Five, 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea has 2 hydrogen bond donor(s) and 5 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-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea?
The CAS number of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea is 74822-79-0.
What is the molecular formula of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea?
The molecular formula of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea is C18H17F3N2O4S.
What is the molecular weight of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea?
The molecular weight of 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea is 414.09 g/mol.
Where can I buy 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea?
You can request a quote for 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)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-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(Trifluoromethyl)phenyl]-3-(3,4,5-trimethoxybenzoyl)thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.