![2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide structure](/static/products/488/488137-31-1.png)
2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
TL;DR: 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide (CAS 488137-31-1) is a chemical compound with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide, (E)-2-((5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl)thio)-N'-(pyridin-3-ylmethylene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide, N-((1E)-2-(3-pyridyl)-1-azavinyl)-2-[5-(4-chlorophenyl)-4-cyclohexyl(1,2,4-tri azol-3-ylthio)]acetamide
| Molecular Formula | C22H23ClN6OS |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 4.7411 |
| Topological Polar Surface Area | 85.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 454.13425 |
| Heavy Atoms | 31 |
| Complexity | 1031.9146 |
Chemical Identifiers
| CAS Number | 488137-31-1 |
|---|---|
| SMILES | C1CCC(CC1)N2C(=NN=C2SCC(=O)N/N=C/C3=CN=CC=C3)C4=CC=C(C=C4)Cl |
Product Overview
2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide (CAS 488137-31-1), with molecular formula C22H23ClN6OS and molecular weight 454.13 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-pyridin-3-ylmethylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
Property Insights of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide
The XLogP value of 4.7411 indicates that 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-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-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide?
The CAS number of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide is 488137-31-1.
What is the molecular formula of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide is C22H23ClN6OS.
What is the molecular weight of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide is 454.13 g/mol.
Where can I buy 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-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-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenyl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-pyridin-3-ylmethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.