(E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate
TL;DR: (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 669761-31-3) is a chemical compound with molecular formula C23H18BrN5O2S and molecular weight 507.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
Also Known As: (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate, acetic acid, [(4-bromophenyl)hydrazono][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio]-, methyl ester, (2E)-, methyl (2E)-[2-(4-bromophenyl)hydrazinylidene][(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]ethanoate, methyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
| Molecular Formula | C23H18BrN5O2S |
|---|---|
| Molecular Weight | 507.04 g/mol |
| LogP | 5.3875 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 507.03647 |
| Heavy Atoms | 32 |
| Complexity | 1228.5035 |
Chemical Identifiers
| CAS Number | 669761-31-3 |
|---|---|
| SMILES | COC(=O)/C(=N\NC1=CC=C(C=C1)Br)/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate (CAS 669761-31-3), with molecular formula C23H18BrN5O2S and molecular weight 507.04 g/mol. IUPAC: methyl (2E)-2-[(4-bromophenyl)hydrazinylidene]-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate.
Chemical Property Profile of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate
Property Insights of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate
The XLogP value of 5.3875 indicates that (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)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-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate. Following Lipinski's Rule of Five, (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate 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)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The CAS number of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate is 669761-31-3.
What is the molecular formula of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular formula of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate is C23H18BrN5O2S.
What is the molecular weight of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
The molecular weight of (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate is 507.04 g/mol.
Where can I buy (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
You can request a quote for (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)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-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 2-(2-(4-bromophenyl)hydrazono)-2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.