![2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide structure](/static/products/497/497950-94-4.png)
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
TL;DR: 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide (CAS 497950-94-4) is a chemical compound with molecular formula C27H27ClN6O2S and molecular weight 534.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide, (E)-2-((5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide, N-{(1E)-2-[4-(dimethylamino)phenyl]-1-azavinyl}-2-[5-(4-chlorophenyl)-4-(4-eth oxyphenyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C27H27ClN6O2S |
|---|---|
| Molecular Weight | 534.16 g/mol |
| LogP | 5.2948 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 534.16046 |
| Heavy Atoms | 37 |
| Complexity | 1353.4242 |
Chemical Identifiers
| CAS Number | 497950-94-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)Cl |
Product Overview
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide (CAS 497950-94-4), with molecular formula C27H27ClN6O2S and molecular weight 534.16 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
Property Insights of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
The XLogP value of 5.2948 indicates that 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}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 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide?
The CAS number of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide is 497950-94-4.
What is the molecular formula of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide?
The molecular formula of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide is C27H27ClN6O2S.
What is the molecular weight of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide?
The molecular weight of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide is 534.16 g/mol.
Where can I buy 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide?
You can request a quote for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.