![1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone structure](/static/products/4773/477332-79-9.webp)
1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
TL;DR: 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 477332-79-9) is a chemical compound with molecular formula C24H18ClN3O3S and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(Benzo[d][1,3]dioxol-5-yl)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(1,3-Benzodioxol-5-YL)-2-((5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL)sulfanyl)ethanone, 1-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C24H18ClN3O3S |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 5.59982 |
| Topological Polar Surface Area | 66.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.07574 |
| Heavy Atoms | 32 |
| Complexity | 1287.0997 |
Chemical Identifiers
| CAS Number | 477332-79-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)Cl |
Product Overview
1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 477332-79-9), with molecular formula C24H18ClN3O3S and molecular weight 463.08 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Property Insights of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
The XLogP value of 5.59982 indicates that 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone. Following Lipinski's Rule of Five, 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The CAS number of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 477332-79-9.
What is the molecular formula of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular formula of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is C24H18ClN3O3S.
What is the molecular weight of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular weight of 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 463.08 g/mol.
Where can I buy 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
You can request a quote for 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-benzodioxol-5-yl)-2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.