![4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate structure](/static/products/488/488801-76-9.png)
4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
TL;DR: 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate (CAS 488801-76-9) is a chemical compound with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Also Known As: 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate, (E)-4-(1-(2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate, [4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate, 4-((1E)-2-{2-[5-(4-chlorophenyl)-4-ethyl(1,2,4-triazol-3-ylthio)]acetylamino}- 1-methyl-2-azavinyl)phenyl acetate
| Molecular Formula | C22H22ClN5O3S |
|---|---|
| Molecular Weight | 471.11 g/mol |
| LogP | 4.1762 |
| Topological Polar Surface Area | 98.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 471.1132 |
| Heavy Atoms | 32 |
| Complexity | 1127.473 |
Chemical Identifiers
| CAS Number | 488801-76-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C(\C)/C2=CC=C(C=C2)OC(=O)C)C3=CC=C(C=C3)Cl |
Product Overview
4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate (CAS 488801-76-9), with molecular formula C22H22ClN5O3S and molecular weight 471.11 g/mol. IUPAC: [4-[(E)-N-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate.
Chemical Property Profile of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
Property Insights of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate
The XLogP value of 4.1762 indicates that 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate 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 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate. Following Lipinski's Rule of Five, 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl 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 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate?
The CAS number of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate is 488801-76-9.
What is the molecular formula of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate?
The molecular formula of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate is C22H22ClN5O3S.
What is the molecular weight of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate?
The molecular weight of 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate is 471.11 g/mol.
Where can I buy 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate?
You can request a quote for 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-{(1E)-1-[2-({[5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]ethyl}phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.