(Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
TL;DR: (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 861111-29-7) is a chemical compound with molecular formula C21H20N10O4 and molecular weight 476.17 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-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide
Also Known As: (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)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-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide, 3-[(1Z)-1-(2-{[1-(4-ammonio-1,2,5-oxadiazol-3-yl)-5-{[(2-carbamoylphenyl)amino]methyl}-1H-1,2,3-triazol-4-yl]carbonyl}hydrazinylidene)ethyl]phenolate, 3-[(Z)-N-[[1-(4-azaniumyl-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]triazole-4-carbonyl]amino]-C-methylcarbonimidoyl]phenolate
| Molecular Formula | C21H20N10O4 |
|---|---|
| Molecular Weight | 476.17 g/mol |
| LogP | 0.8031 |
| Topological Polar Surface Area | 212.46 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 476.1669 |
| Heavy Atoms | 35 |
| Complexity | 1424.9935 |
Chemical Identifiers
| CAS Number | 861111-29-7 |
|---|---|
| SMILES | C/C(=N/NC(=O)C1=C(N(N=N1)C2=NON=C2N)CNC3=CC=CC=C3C(=O)N)/C4=CC(=CC=C4)O |
Product Overview
(Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 861111-29-7), with molecular formula C21H20N10O4 and molecular weight 476.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(2-carbamoylanilino)methyl]-N-[(Z)-1-(3-hydroxyphenyl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
Property Insights of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
The XLogP value of 0.8031 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide. The TPSA of 212.46 Ų indicates high polarity, suggesting (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)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, (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide has 5 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 (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The CAS number of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 861111-29-7.
What is the molecular formula of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular formula of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is C21H20N10O4.
What is the molecular weight of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
The molecular weight of (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 476.17 g/mol.
Where can I buy (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
You can request a quote for (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)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 (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)hydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-(1-(3-hydroxyphenyl)ethylidene)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.