(E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
TL;DR: (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide (CAS 406464-34-4) is a chemical compound with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide, 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide, 2-{[4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-phenylprop-2-en-1-ylidene]acetohydrazide, N-((1E,3E)-4-phenyl-1-azabuta-1,3-dienyl)-2-[4,5-bis(4-methoxyphenyl)(1,2,4-tr iazol-3-ylthio)]acetamide
| Molecular Formula | C27H25N5O3S |
|---|---|
| Molecular Weight | 499.17 g/mol |
| LogP | 4.859 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 499.16782 |
| Heavy Atoms | 36 |
| Complexity | 1334.354 |
Chemical Identifiers
| CAS Number | 406464-34-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C=C/C4=CC=CC=C4 |
Product Overview
(E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide (CAS 406464-34-4), with molecular formula C27H25N5O3S and molecular weight 499.17 g/mol. IUPAC: 2-[[4,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
Property Insights of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide
The XLogP value of 4.859 indicates that (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide 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 (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The CAS number of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is 406464-34-4.
What is the molecular formula of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The molecular formula of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is C27H25N5O3S.
What is the molecular weight of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
The molecular weight of (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide is 499.17 g/mol.
Where can I buy (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
You can request a quote for (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-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-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4,5-bis(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-phenylallylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.