(E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide (CAS 406465-96-1) is a chemical compound with molecular formula C28H29N5O3S and molecular weight 515.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide, 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide, 2-{[4-(4-METHOXYPHENYL)-5-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-[(E)-(4-PROPOXYPHENYL)METHYLIDENE]ACETOHYDRAZIDE
| Molecular Formula | C28H29N5O3S |
|---|---|
| Molecular Weight | 515.20 g/mol |
| LogP | 5.28252 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 515.1991 |
| Heavy Atoms | 37 |
| Complexity | 1334.0076 |
Chemical Identifiers
| CAS Number | 406465-96-1 |
|---|---|
| SMILES | CCCOC1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C |
Product Overview
(E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide (CAS 406465-96-1), with molecular formula C28H29N5O3S and molecular weight 515.20 g/mol. IUPAC: 2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-propoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide
The XLogP value of 5.28252 indicates that (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide is 406465-96-1.
What is the molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide is C28H29N5O3S.
What is the molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide is 515.20 g/mol.
Where can I buy (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-propoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.