(E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate
TL;DR: (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate (CAS 669761-40-4) is a chemical compound with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(4-methoxyphenyl)hydrazinylidene]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate, methyl (2E)-[2-(4-methoxyphenyl)hydrazinylidene]{[5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanoate, methyl (2E)-2-[(4-methoxyphenyl)hydrazinylidene]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate
| Molecular Formula | C20H21N5O4S |
|---|---|
| Molecular Weight | 427.13 g/mol |
| LogP | 3.19 |
| Topological Polar Surface Area | 99.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.13144 |
| Heavy Atoms | 30 |
| Complexity | 1032.3553 |
Chemical Identifiers
| CAS Number | 669761-40-4 |
|---|---|
| SMILES | CN1C(=NN=C1S/C(=N/NC2=CC=C(C=C2)OC)/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-methoxyphenyl)hydrazono)acetate (CAS 669761-40-4), with molecular formula C20H21N5O4S and molecular weight 427.13 g/mol. IUPAC: methyl (2E)-2-[(4-methoxyphenyl)hydrazinylidene]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate
Property Insights of (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate
The XLogP value of 3.19 indicates that (E)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)hydrazono)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.86 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-methoxyphenyl)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-methoxyphenyl)hydrazono)acetate 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)-methyl 2-((5-(4-methoxyphenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-(4-methoxyphenyl)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-methoxyphenyl)hydrazono)acetate is 669761-40-4.
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-methoxyphenyl)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-methoxyphenyl)hydrazono)acetate is C20H21N5O4S.
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-methoxyphenyl)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-methoxyphenyl)hydrazono)acetate is 427.13 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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)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-methoxyphenyl)hydrazono)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.