(E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 488725-07-1) is a chemical compound with molecular formula C22H22ClN5O2S and molecular weight 455.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
| Molecular Formula | C22H22ClN5O2S |
|---|---|
| Molecular Weight | 455.12 g/mol |
| LogP | 4.5345 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 455.1183 |
| Heavy Atoms | 31 |
| Complexity | 1079.7603 |
Chemical Identifiers
| CAS Number | 488725-07-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C=C/C2=CC=CC=C2OC)C3=CC=C(C=C3)Cl |
Product Overview
(E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 488725-07-1), with molecular formula C22H22ClN5O2S and molecular weight 455.12 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
The XLogP value of 4.5345 indicates that (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)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-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 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-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 488725-07-1.
What is the molecular formula of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is C22H22ClN5O2S.
What is the molecular weight of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 455.12 g/mol.
Where can I buy (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)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-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.