![1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone structure](/static/products/5736/573696-89-6.webp)
1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
TL;DR: 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 573696-89-6) is a chemical compound with molecular formula C19H14ClN5O2S and molecular weight 411.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
Also Known As: 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone, 1-(4-chlorophenyl)-2-((4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl)thio)ethanone, 1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone, 1-(4-chlorophenyl)-2-[4-(2-furylmethyl)-5-pyrazin-2-yl(1,2,4-triazol-3-ylthio) ]ethan-1-one, 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethan-1-one
| Molecular Formula | C19H14ClN5O2S |
|---|---|
| Molecular Weight | 411.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 411.05566 |
| Heavy Atoms | 28 |
| Complexity | 523.0 |
Chemical Identifiers
| CAS Number | 573696-89-6 |
|---|---|
| SMILES | C1=COC(=C1)CN2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=NC=CN=C4 |
| InChIKey | VWYCNOLQDWZRIW-UHFFFAOYSA-N |
Product Overview
1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone (CAS 573696-89-6), with molecular formula C19H14ClN5O2S and molecular weight 411.06 g/mol. IUPAC: 1-(4-chlorophenyl)-2-[[4-(furan-2-ylmethyl)-5-pyrazin-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone.
Chemical Property Profile of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Property Insights of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone. Following Lipinski's Rule of Five, 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-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-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The CAS number of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 573696-89-6.
What is the molecular formula of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular formula of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is C19H14ClN5O2S.
What is the molecular weight of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
The molecular weight of 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone is 411.06 g/mol.
Where can I buy 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
You can request a quote for 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-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-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-chlorophenyl)-2-{[4-(furan-2-ylmethyl)-5-(pyrazin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.