(E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide (CAS 497863-92-0) is a chemical compound with molecular formula C31H33N5O2S and molecular weight 539.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide, 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
| Molecular Formula | C31H33N5O2S |
|---|---|
| Molecular Weight | 539.24 g/mol |
| LogP | 6.538 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 539.2355 |
| Heavy Atoms | 39 |
| Complexity | 1451.8625 |
Chemical Identifiers
| CAS Number | 497863-92-0 |
|---|---|
| SMILES | C/C(=C/C1=CC=CC=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)OC)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
(E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide (CAS 497863-92-0), with molecular formula C31H33N5O2S and molecular weight 539.24 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide
The XLogP value of 6.538 indicates that (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide 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)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is 497863-92-0.
What is the molecular formula of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is C31H33N5O2S.
What is the molecular weight of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide is 539.24 g/mol.
Where can I buy (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((Z)-2-methyl-3-phenylallylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.