![1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE structure](/static/products/6132/613225-76-6.webp)
1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
TL;DR: 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE (CAS 613225-76-6) is a chemical compound with molecular formula C22H15ClN4O3S and molecular weight 450.06 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-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE, 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(2H-1,3-benzodioxol-5-yl)-2-{[4-(4-chlorophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one, 1-(2H-benzo[3,4-d]1,3-dioxolen-5-yl)-2-[4-(4-chlorophenyl)-5-(4-pyridyl)(1,2,4 -triazol-3-ylthio)]ethan-1-one
| Molecular Formula | C22H15ClN4O3S |
|---|---|
| Molecular Weight | 450.06 g/mol |
| LogP | 4.6864 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 450.05533 |
| Heavy Atoms | 31 |
| Complexity | 1245.613 |
Chemical Identifiers
| CAS Number | 613225-76-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=C(C=C4)Cl)C5=CC=NC=C5 |
Product Overview
1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE (CAS 613225-76-6), with molecular formula C22H15ClN4O3S and molecular weight 450.06 g/mol. IUPAC: 1-(1,3-benzodioxol-5-yl)-2-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
Property Insights of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE
The XLogP value of 4.6864 indicates that 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-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 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE. Following Lipinski's Rule of Five, 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The CAS number of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is 613225-76-6.
What is the molecular formula of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The molecular formula of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is C22H15ClN4O3S.
What is the molecular weight of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
The molecular weight of 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE is 450.06 g/mol.
Where can I buy 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
You can request a quote for 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-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-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,3-BENZODIOXOL-5-YL)-2-{[4-(4-CHLOROPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ETHANONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.