(E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348592-29-0) is a chemical compound with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}-2-{[4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C22H24N6O5S |
|---|---|
| Molecular Weight | 484.15 g/mol |
| LogP | 3.4285 |
| Topological Polar Surface Area | 133.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 484.1529 |
| Heavy Atoms | 34 |
| Complexity | 1210.2458 |
Chemical Identifiers
| CAS Number | 348592-29-0 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC(=CC=C3)[N+](=O)[O-])OC |
Product Overview
(E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348592-29-0), with molecular formula C22H24N6O5S and molecular weight 484.15 g/mol. IUPAC: N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]-2-[[4-methyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 3.4285 indicates that (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 133.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide has 1 hydrogen bond donor(s) and 9 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 (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 348592-29-0.
What is the molecular formula of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C22H24N6O5S.
What is the molecular weight of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 484.15 g/mol.
Where can I buy (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(4-isopropoxy-3-methoxybenzylidene)-2-((4-methyl-5-(3-nitrophenyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.