(E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
TL;DR: (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 498535-62-9) is a chemical compound with molecular formula C25H19Cl2N5O3S and molecular weight 539.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate, methyl 4-[(E)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate, METHYL 4-{(E)-[({[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETYL)HYDRAZONO]METHYL}BENZOATE
| Molecular Formula | C25H19Cl2N5O3S |
|---|---|
| Molecular Weight | 539.06 g/mol |
| LogP | 5.2701 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 539.0586 |
| Heavy Atoms | 36 |
| Complexity | 1388.9792 |
Chemical Identifiers
| CAS Number | 498535-62-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
(E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate (CAS 498535-62-9), with molecular formula C25H19Cl2N5O3S and molecular weight 539.06 g/mol. IUPAC: methyl 4-[(E)-[[2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
Property Insights of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate
The XLogP value of 5.2701 indicates that (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.47 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate. Following Lipinski's Rule of Five, (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate 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 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The CAS number of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is 498535-62-9.
What is the molecular formula of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular formula of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is C25H19Cl2N5O3S.
What is the molecular weight of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
The molecular weight of (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate is 539.06 g/mol.
Where can I buy (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
You can request a quote for (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate?
Yes, KEHONG BIO provides custom synthesis services for (E)-methyl 4-((2-(2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.