![2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide structure](/static/products/406/406466-90-8.png)
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide
TL;DR: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide (CAS 406466-90-8) is a chemical compound with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide
Also Known As: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1Z)-1-phenylethylidene]acetohydrazide, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide, N-((1Z)-2-phenyl-1-azaprop-1-enyl)-2-[4-(4-chlorophenyl)-5-(4-methoxyphenyl)(1 ,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C25H22ClN5O2S |
|---|---|
| Molecular Weight | 491.12 g/mol |
| LogP | 5.2288 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 491.1183 |
| Heavy Atoms | 34 |
| Complexity | 1289.4027 |
Chemical Identifiers
| CAS Number | 406466-90-8 |
|---|---|
| SMILES | C/C(=N/NC(=O)CSC1=NN=C(N1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)OC)/C4=CC=CC=C4 |
Product Overview
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide (CAS 406466-90-8), with molecular formula C25H22ClN5O2S and molecular weight 491.12 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-1-phenylethylideneamino]acetamide.
Chemical Property Profile of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide
Property Insights of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide
The XLogP value of 5.2288 indicates that 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide. Following Lipinski's Rule of Five, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide has 1 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 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide?
The CAS number of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide is 406466-90-8.
What is the molecular formula of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide?
The molecular formula of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide is C25H22ClN5O2S.
What is the molecular weight of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide?
The molecular weight of 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide is 491.12 g/mol.
Where can I buy 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide?
You can request a quote for 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide 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-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-1-phenylethylideneamino]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.