(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
TL;DR: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 848990-87-4) is a chemical compound with molecular formula C21H20N10O3S and molecular weight 492.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide, 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-({(2E)-2-[4-(methylsulfanyl)benzylidene]hydrazinyl}carbonyl)-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
| Molecular Formula | C21H20N10O3S |
|---|---|
| Molecular Weight | 492.14 g/mol |
| LogP | 1.4293 |
| Topological Polar Surface Area | 192.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.14404 |
| Heavy Atoms | 35 |
| Complexity | 1380.2655 |
Chemical Identifiers
| CAS Number | 848990-87-4 |
|---|---|
| SMILES | CSC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CNC4=CC=CC=C4C(=O)N |
Product Overview
(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 848990-87-4), with molecular formula C21H20N10O3S and molecular weight 492.14 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(E)-(4-methylsulfanylphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
Property Insights of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
The XLogP value of 1.4293 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide. The TPSA of 192.23 Ų indicates high polarity, suggesting (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide has 4 hydrogen bond donor(s) and 11 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-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The CAS number of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 848990-87-4.
What is the molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is C21H20N10O3S.
What is the molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 492.14 g/mol.
Where can I buy (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
You can request a quote for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(4-(methylthio)benzylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.