![2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone structure](/static/products/7673/767327-36-6.webp)
2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
TL;DR: 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone (CAS 767327-36-6) is a chemical compound with molecular formula C20H18Cl2N4O4S and molecular weight 480.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
Also Known As: 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone, 2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone
| Molecular Formula | C20H18Cl2N4O4S |
|---|---|
| Molecular Weight | 480.04 g/mol |
| LogP | 5.0167 |
| Topological Polar Surface Area | 100.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 480.04257 |
| Heavy Atoms | 31 |
| Complexity | 1106.5339 |
Chemical Identifiers
| CAS Number | 767327-36-6 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CCCOC3=C(C=C(C=C3)Cl)Cl |
Product Overview
2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone (CAS 767327-36-6), with molecular formula C20H18Cl2N4O4S and molecular weight 480.04 g/mol. IUPAC: 2-[[5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-(3-nitrophenyl)ethanone.
Chemical Property Profile of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
Property Insights of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone
The XLogP value of 5.0167 indicates that 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone. Following Lipinski's Rule of Five, 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone 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 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone?
The CAS number of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone is 767327-36-6.
What is the molecular formula of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone?
The molecular formula of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone is C20H18Cl2N4O4S.
What is the molecular weight of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone?
The molecular weight of 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone is 480.04 g/mol.
Where can I buy 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone?
You can request a quote for 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[3-(2,4-dichlorophenoxy)propyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(3-nitrophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.