(E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
TL;DR: (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 377770-52-0) is a chemical compound with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide
Also Known As: (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(1E,2E)-3-(2-methoxyphenyl)prop-2-en-1-ylidene]acetohydrazide, N-[(1E,3E)-4-(2-methoxyphenyl)-1-azabuta-1,3-dienyl]-2-[4-(4-chlorophenyl)-5-( 4-methoxyphenyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C27H24ClN5O3S |
|---|---|
| Molecular Weight | 533.13 g/mol |
| LogP | 5.5124 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 533.12885 |
| Heavy Atoms | 37 |
| Complexity | 1402.5762 |
Chemical Identifiers
| CAS Number | 377770-52-0 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N/N=C/C=C/C4=CC=CC=C4OC |
Product Overview
(E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide (CAS 377770-52-0), with molecular formula C27H24ClN5O3S and molecular weight 533.13 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[(E)-3-(2-methoxyphenyl)prop-2-enylidene]amino]acetamide.
Chemical Property Profile of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
Property Insights of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide
The XLogP value of 5.5124 indicates that (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 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-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The CAS number of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 377770-52-0.
What is the molecular formula of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular formula of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is C27H24ClN5O3S.
What is the molecular weight of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
The molecular weight of (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide is 533.13 g/mol.
Where can I buy (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((E)-3-(2-methoxyphenyl)allylidene)acetohydrazide?
You can request a quote for (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-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.