(E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate
TL;DR: (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate (CAS 669761-45-9) is a chemical compound with molecular formula C19H18N6O5S and molecular weight 442.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(4-nitrophenyl)hydrazinylidene]acetate
Also Known As: (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate, methyl (2E)-{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}[2-(4-nitrophenyl)hydrazinylidene]ethanoate, methyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(4-nitrophenyl)hydrazinylidene]acetate
| Molecular Formula | C19H18N6O5S |
|---|---|
| Molecular Weight | 442.11 g/mol |
| LogP | 3.0896 |
| Topological Polar Surface Area | 133.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 442.10593 |
| Heavy Atoms | 31 |
| Complexity | 1111.822 |
Chemical Identifiers
| CAS Number | 669761-45-9 |
|---|---|
| SMILES | CN1C(=NN=C1S/C(=N/NC2=CC=C(C=C2)[N+](=O)[O-])/C(=O)OC)C3=CC=C(C=C3)OC |
Product Overview
(E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate (CAS 669761-45-9), with molecular formula C19H18N6O5S and molecular weight 442.11 g/mol. IUPAC: methyl (2E)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-[(4-nitrophenyl)hydrazinylidene]acetate.
Chemical Property Profile of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate
Property Insights of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate
The XLogP value of 3.0896 indicates that (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate 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)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate has 1 hydrogen bond donor(s) and 10 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)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate?
The CAS number of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate is 669761-45-9.
What is the molecular formula of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate?
The molecular formula of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate is C19H18N6O5S.
What is the molecular weight of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate?
The molecular weight of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate is 442.11 g/mol.
Where can I buy (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate?
You can request a quote for (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-nitrophenyl)hydrazono)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.