(E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
TL;DR: (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate (CAS 669761-15-3) is a chemical compound with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(phenylhydrazinylidene)acetate
Also Known As: (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate, Methyl [N-anilino-C-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]carbonimidoyl]formate, acetic acid, [(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio](phenylhydrazono)-, methyl ester, (2E)-, methyl (2E)-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl](2-phenylhydrazinylidene)ethanoate, methyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(phenylhydrazinylidene)acetate
| Molecular Formula | C23H19N5O2S |
|---|---|
| Molecular Weight | 429.13 g/mol |
| LogP | 4.625 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 429.12595 |
| Heavy Atoms | 31 |
| Complexity | 1178.5944 |
Chemical Identifiers
| CAS Number | 669761-15-3 |
|---|---|
| SMILES | COC(=O)/C(=N\NC1=CC=CC=C1)/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate (CAS 669761-15-3), with molecular formula C23H19N5O2S and molecular weight 429.13 g/mol. IUPAC: methyl (2E)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-2-(phenylhydrazinylidene)acetate.
Chemical Property Profile of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
Property Insights of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate
The XLogP value of 4.625 indicates that (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate 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 (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate has 1 hydrogen bond donor(s) and 7 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-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The CAS number of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is 669761-15-3.
What is the molecular formula of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The molecular formula of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is C23H19N5O2S.
What is the molecular weight of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
The molecular weight of (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate is 429.13 g/mol.
Where can I buy (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
You can request a quote for (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)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-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-2-(2-phenylhydrazono)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.