![1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea structure](/static/products/6802/680215-25-2.webp)
1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
TL;DR: 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (CAS 680215-25-2) is a chemical compound with molecular formula C18H17BrF3N3O2S and molecular weight 475.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
Also Known As: 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea, N1-[4-(trifluoromethoxy)phenyl]-2-(2-bromo-1-phenylethylidene)-1-(2-hydroxyethyl)hydrazine-1-carbothioamide, N1-[4-(trifluoromethoxy)phenyl]-2-(2-bromo-1-phenylethylidene)-1-(2-hydroxyethyl)hydrazine-1-carboth
| Molecular Formula | C18H17BrF3N3O2S |
|---|---|
| Molecular Weight | 475.02 g/mol |
| LogP | 4.3755 |
| Topological Polar Surface Area | 57.09 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 475.0177 |
| Heavy Atoms | 28 |
| Complexity | 801.97314 |
Chemical Identifiers
| CAS Number | 680215-25-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C(=N\N(CCO)C(=S)NC2=CC=C(C=C2)OC(F)(F)F)/CBr |
Product Overview
1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea (CAS 680215-25-2), with molecular formula C18H17BrF3N3O2S and molecular weight 475.02 g/mol. IUPAC: 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea.
Chemical Property Profile of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
Property Insights of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea
The XLogP value of 4.3755 indicates that 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-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 57.09 Ų, 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea has 2 hydrogen bond donor(s) and 4 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-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The CAS number of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is 680215-25-2.
What is the molecular formula of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The molecular formula of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is C18H17BrF3N3O2S.
What is the molecular weight of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
The molecular weight of 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea is 475.02 g/mol.
Where can I buy 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
You can request a quote for 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-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-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea?
Yes, KEHONG BIO provides custom synthesis services for 1-[(E)-(2-bromo-1-phenylethylidene)amino]-1-(2-hydroxyethyl)-3-[4-(trifluoromethoxy)phenyl]thiourea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.