![3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole structure](/static/products/6608/6608-93-1.webp)
3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
TL;DR: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole (CAS 6608-93-1) is a chemical compound with molecular formula C23H16ClFN4O4S and molecular weight 498.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
Also Known As: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole, 3-(2-Chlorophenyl)-4-(2-fluorophenyl)-5-{[(6-nitro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-4H-1,2,4-triazole, CID 5211813
| Molecular Formula | C23H16ClFN4O4S |
|---|---|
| Molecular Weight | 498.06 g/mol |
| LogP | 5.7938 |
| Topological Polar Surface Area | 92.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 498.0565 |
| Heavy Atoms | 34 |
| Complexity | 1397.4003 |
Chemical Identifiers
| CAS Number | 6608-93-1 |
|---|---|
| SMILES | C1C2=C(C(=CC(=C2)[N+](=O)[O-])CSC3=NN=C(N3C4=CC=CC=C4F)C5=CC=CC=C5Cl)OCO1 |
Product Overview
3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole (CAS 6608-93-1), with molecular formula C23H16ClFN4O4S and molecular weight 498.06 g/mol. IUPAC: 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole.
Chemical Property Profile of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
Property Insights of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole
The XLogP value of 5.7938 indicates that 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole has 0 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 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole?
The CAS number of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole is 6608-93-1.
What is the molecular formula of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole?
The molecular formula of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole is C23H16ClFN4O4S.
What is the molecular weight of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole?
The molecular weight of 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole is 498.06 g/mol.
Where can I buy 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole?
You can request a quote for 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-chlorophenyl)-4-(2-fluorophenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.