![2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide structure](/static/products/496/496796-96-4.png)
2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
TL;DR: 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide (CAS 496796-96-4) is a chemical compound with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide
Also Known As: 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide, (E)-2-((4-(4-chlorophenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(furan-2-ylmethylene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide, N-((1E)-2-(2-furyl)-1-azavinyl)-2-[4-(4-chlorophenyl)-5-(4-methylphenyl)(1,2,4 -triazol-3-ylthio)]acetamide
| Molecular Formula | C22H18ClN5O2S |
|---|---|
| Molecular Weight | 451.09 g/mol |
| LogP | 4.73152 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.08698 |
| Heavy Atoms | 31 |
| Complexity | 1185.8865 |
Chemical Identifiers
| CAS Number | 496796-96-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C4=CC=CO4 |
Product Overview
2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide (CAS 496796-96-4), with molecular formula C22H18ClN5O2S and molecular weight 451.09 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-furan-2-ylmethylideneamino]acetamide.
Chemical Property Profile of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
Property Insights of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide
The XLogP value of 4.73152 indicates that 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide has 1 hydrogen bond donor(s) and 6 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 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide?
The CAS number of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide is 496796-96-4.
What is the molecular formula of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide?
The molecular formula of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide is C22H18ClN5O2S.
What is the molecular weight of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide?
The molecular weight of 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide is 451.09 g/mol.
Where can I buy 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide?
You can request a quote for 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-chlorophenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-furan-2-ylmethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.