(Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate
TL;DR: (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate (CAS 406465-81-4) is a chemical compound with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-N-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Also Known As: (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate, [4-[(Z)-N-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
| Molecular Formula | C28H27N5O4S |
|---|---|
| Molecular Weight | 529.18 g/mol |
| LogP | 4.80912 |
| Topological Polar Surface Area | 107.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 529.1784 |
| Heavy Atoms | 38 |
| Complexity | 1446.3596 |
Chemical Identifiers
| CAS Number | 406465-81-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C(/C)\C4=CC=C(C=C4)OC(=O)C |
Product Overview
(Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate (CAS 406465-81-4), with molecular formula C28H27N5O4S and molecular weight 529.18 g/mol. IUPAC: [4-[(Z)-N-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate.
Chemical Property Profile of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate
Property Insights of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate
The XLogP value of 4.80912 indicates that (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.7 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate. Following Lipinski's Rule of Five, (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate?
The CAS number of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate is 406465-81-4.
What is the molecular formula of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate?
The molecular formula of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate is C28H27N5O4S.
What is the molecular weight of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate?
The molecular weight of (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate is 529.18 g/mol.
Where can I buy (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate?
You can request a quote for (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)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 (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-(1-(2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.