![N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea structure](/static/products/5894/5894-66-6.webp)
N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea
TL;DR: N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea (CAS 5894-66-6) is a chemical compound with molecular formula C24H21FN6O4S and molecular weight 508.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-fluorophenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea
Also Known As: N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea, 1-(2-fluorophenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea
| Molecular Formula | C24H21FN6O4S |
|---|---|
| Molecular Weight | 508.13 g/mol |
| LogP | 4.9372 |
| Topological Polar Surface Area | 124.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 508.1329 |
| Heavy Atoms | 36 |
| Complexity | 1379.2968 |
Chemical Identifiers
| CAS Number | 5894-66-6 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CSC2=NN=C(N2C3=CC=C(C=C3)[N+](=O)[O-])CNC(=O)NC4=CC=CC=C4F |
Product Overview
N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea (CAS 5894-66-6), with molecular formula C24H21FN6O4S and molecular weight 508.13 g/mol. IUPAC: 1-(2-fluorophenyl)-3-[[5-[(3-methoxyphenyl)methylsulfanyl]-4-(4-nitrophenyl)-1,2,4-triazol-3-yl]methyl]urea.
Chemical Property Profile of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea
Property Insights of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea
The XLogP value of 4.9372 indicates that N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.21 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea. Following Lipinski's Rule of Five, N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea?
The CAS number of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea is 5894-66-6.
What is the molecular formula of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea?
The molecular formula of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea is C24H21FN6O4S.
What is the molecular weight of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea?
The molecular weight of N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea is 508.13 g/mol.
Where can I buy N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea?
You can request a quote for N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Fluorophenyl)-N'-{[5-{[(3-methoxyphenyl)methyl]sulfanyl}-4-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]methyl}urea and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.