![5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate structure](/static/products/314/314071-75-5.png)
5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate
TL;DR: 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate (CAS 314071-75-5) is a chemical compound with molecular formula C28H30N6O2S and molecular weight 514.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate
Also Known As: 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate, N-[(E)-[4-(Diethylamino)-2-hydroxyphenyl]methylideneamino]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 5-(diethylammonio)-2-{(E)-[2-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenolate
| Molecular Formula | C28H30N6O2S |
|---|---|
| Molecular Weight | 514.22 g/mol |
| LogP | 3.11492 |
| Topological Polar Surface Area | 99.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.2151 |
| Heavy Atoms | 37 |
| Complexity | 1365.4502 |
Chemical Identifiers
| CAS Number | 314071-75-5 |
|---|---|
| SMILES | CC[NH+](CC)C1=CC(=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)C4=CC=CC=C4)[O-] |
Product Overview
5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate (CAS 314071-75-5), with molecular formula C28H30N6O2S and molecular weight 514.22 g/mol. IUPAC: 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate.
Chemical Property Profile of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate
Property Insights of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate
The XLogP value of 3.11492 indicates that 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate. Following Lipinski's Rule of Five, 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate?
The CAS number of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate is 314071-75-5.
What is the molecular formula of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate?
The molecular formula of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate is C28H30N6O2S.
What is the molecular weight of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate?
The molecular weight of 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate is 514.22 g/mol.
Where can I buy 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate?
You can request a quote for 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 5-(diethylazaniumyl)-2-[(E)-[[2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.