1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
TL;DR: 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 899406-75-8) is a chemical compound with molecular formula C25H21Cl2N3O3S and molecular weight 513.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-dichlorophenyl)-2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(3,4-dichlorophenyl)-2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(3,4-dichlorophenyl)-2-[4-(4-ethoxyphenyl)-5-(phenoxymethyl)(1,2,4-triazol-3 -ylthio)]ethan-1-one, 1-(3,4-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(3,4-dichlorophenyl)-2-{[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
| Molecular Formula | C25H21Cl2N3O3S |
|---|---|
| Molecular Weight | 513.07 g/mol |
| LogP | 6.5268 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 513.06805 |
| Heavy Atoms | 34 |
| Complexity | 1264.4033 |
Chemical Identifiers
| CAS Number | 899406-75-8 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC(=C(C=C3)Cl)Cl)COC4=CC=CC=C4 |
Product Overview
1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone (CAS 899406-75-8), with molecular formula C25H21Cl2N3O3S and molecular weight 513.07 g/mol. IUPAC: 1-(3,4-dichlorophenyl)-2-[[4-(4-ethoxyphenyl)-5-(phenoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
Property Insights of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone
The XLogP value of 6.5268 indicates that 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The CAS number of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 899406-75-8.
What is the molecular formula of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular formula of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is C25H21Cl2N3O3S.
What is the molecular weight of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
The molecular weight of 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone is 513.07 g/mol.
Where can I buy 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
You can request a quote for 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-dichlorophenyl)-2-((4-(4-ethoxyphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.