![1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea structure](/static/products/1024/1024434-57-8.webp)
1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea
TL;DR: 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea (CAS 1024434-57-8) is a chemical compound with molecular formula C25H22Cl2FN5O2S and molecular weight 545.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea
Also Known As: 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea, N-[[4-(2,4-Dichlorophenyl)-5-[[(4-fluorophenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-N'-(4-ethoxyphenyl)urea, N-[[4-(2,4-Dichlorophenyl)-5-[[(4-fluorophenyl)methyl]thio]-4H-1,2,4-triazol-3-yl]methyl]-Na(2)-(4-ethoxyphenyl)urea
| Molecular Formula | C25H22Cl2FN5O2S |
|---|---|
| Molecular Weight | 545.09 g/mol |
| LogP | 6.7259 |
| Topological Polar Surface Area | 81.07 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 545.0855 |
| Heavy Atoms | 36 |
| Complexity | 1333.5414 |
Chemical Identifiers
| CAS Number | 1024434-57-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)NC(=O)NCC2=NN=C(N2C3=C(C=C(C=C3)Cl)Cl)SCC4=CC=C(C=C4)F |
Product Overview
1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea (CAS 1024434-57-8), with molecular formula C25H22Cl2FN5O2S and molecular weight 545.09 g/mol. IUPAC: 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea.
Chemical Property Profile of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea
Property Insights of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea
The XLogP value of 6.7259 indicates that 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.07 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea. Following Lipinski's Rule of Five, 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea?
The CAS number of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea is 1024434-57-8.
What is the molecular formula of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea?
The molecular formula of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea is C25H22Cl2FN5O2S.
What is the molecular weight of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea?
The molecular weight of 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea is 545.09 g/mol.
Where can I buy 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea?
You can request a quote for 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea?
Yes, KEHONG BIO provides custom synthesis services for 1-[[4-(2,4-dichlorophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]-3-(4-ethoxyphenyl)urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.