![2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide structure](/static/products/406/406466-79-3.png)
2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide
TL;DR: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide (CAS 406466-79-3) is a chemical compound with molecular formula C28H29ClN6O2S and molecular weight 548.18 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)-[4-(diethylamino)phenyl]methylideneamino]acetamide
Also Known As: 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide, (E)-2-((4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(diethylamino)benzylidene)acetohydrazide, 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide, N-{(1E)-2-[4-(diethylamino)phenyl]-1-azavinyl}-2-[4-(4-chlorophenyl)-5-(4-meth oxyphenyl)(1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C28H29ClN6O2S |
|---|---|
| Molecular Weight | 548.18 g/mol |
| LogP | 5.6849 |
| Topological Polar Surface Area | 84.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 548.17615 |
| Heavy Atoms | 38 |
| Complexity | 1368.2366 |
Chemical Identifiers
| CAS Number | 406466-79-3 |
|---|---|
| SMILES | CCN(CC)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)OC |
Product Overview
2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide (CAS 406466-79-3), with molecular formula C28H29ClN6O2S and molecular weight 548.18 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(diethylamino)phenyl]methylideneamino]acetamide.
Chemical Property Profile of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide
Property Insights of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide
The XLogP value of 5.6849 indicates that 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)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-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide. Following Lipinski's Rule of Five, 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)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-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide?
The CAS number of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide is 406466-79-3.
What is the molecular formula of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide?
The molecular formula of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide is C28H29ClN6O2S.
What is the molecular weight of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide?
The molecular weight of 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide is 548.18 g/mol.
Where can I buy 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide?
You can request a quote for 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)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-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-chlorophenyl)-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(diethylamino)phenyl]methylidene}acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.