(E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate
TL;DR: (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate (CAS 579446-19-8) is a chemical compound with molecular formula C19H18ClN5O5S2 and molecular weight 495.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate
Also Known As: (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate, [2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate, 2-methoxy-4-[(E)-(2-{[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}hydrazinylidene)methyl]phenyl 4-chlorobenzenesulfonate
| Molecular Formula | C19H18ClN5O5S2 |
|---|---|
| Molecular Weight | 495.04 g/mol |
| LogP | 2.4872 |
| Topological Polar Surface Area | 124.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 495.0438 |
| Heavy Atoms | 32 |
| Complexity | 1229.1604 |
Chemical Identifiers
| CAS Number | 579446-19-8 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)N/N=C/C2=CC(=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)Cl)OC |
Product Overview
(E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate (CAS 579446-19-8), with molecular formula C19H18ClN5O5S2 and molecular weight 495.04 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzenesulfonate.
Chemical Property Profile of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate
Property Insights of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate
The XLogP value of 2.4872 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate. The TPSA of 124.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate. Following Lipinski's Rule of Five, (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate 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)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate?
The CAS number of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate is 579446-19-8.
What is the molecular formula of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate?
The molecular formula of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate is C19H18ClN5O5S2.
What is the molecular weight of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate?
The molecular weight of (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate is 495.04 g/mol.
Where can I buy (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate?
You can request a quote for (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methoxy-4-((2-(2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl 4-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.