(E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide (CAS 487019-67-0) is a chemical compound with molecular formula C29H31N5O2S and molecular weight 513.22 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-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide, 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide, 2-{[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(furan-2-yl)-2-methylprop-2-en-1-ylidene]acetohydrazide
| Molecular Formula | C29H31N5O2S |
|---|---|
| Molecular Weight | 513.22 g/mol |
| LogP | 6.43082 |
| Topological Polar Surface Area | 85.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 513.21985 |
| Heavy Atoms | 37 |
| Complexity | 1394.2605 |
Chemical Identifiers
| CAS Number | 487019-67-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C(=C/C3=CC=CO3)/C)C4=CC=C(C=C4)C(C)(C)C |
Product Overview
(E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide (CAS 487019-67-0), with molecular formula C29H31N5O2S and molecular weight 513.22 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(furan-2-yl)-2-methylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide
The XLogP value of 6.43082 indicates that (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)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-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide is 487019-67-0.
What is the molecular formula of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide is C29H31N5O2S.
What is the molecular weight of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide is 513.22 g/mol.
Where can I buy (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)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-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-(tert-butyl)phenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(furan-2-yl)-2-methylallylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.