(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide (CAS 496799-77-0) is a chemical compound with molecular formula C25H21Cl2N5O3S and molecular weight 541.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide, 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2,5-dimethoxyphenyl)methylidene]acetohydrazide
| Molecular Formula | C25H21Cl2N5O3S |
|---|---|
| Molecular Weight | 541.07 g/mol |
| LogP | 5.5007 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 541.0742 |
| Heavy Atoms | 36 |
| Complexity | 1375.7175 |
Chemical Identifiers
| CAS Number | 496799-77-0 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide (CAS 496799-77-0), with molecular formula C25H21Cl2N5O3S and molecular weight 541.07 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide
The XLogP value of 5.5007 indicates that (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)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-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)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-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide is 496799-77-0.
What is the molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide is C25H21Cl2N5O3S.
What is the molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide is 541.07 g/mol.
Where can I buy (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)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-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(2,5-dimethoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.