(E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 849031-91-0) is a chemical compound with molecular formula C20H18N10O3 and molecular weight 446.16 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)-N-[(E)-benzylideneamino]-5-[(2-carbamoylanilino)methyl]triazole-4-carboxamide
Also Known As: (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-[(2-carbamoylanilino)methyl]triazole-4-carboxamide, 2-({[1-(4-amino-1,2,5-oxadiazol-3-yl)-4-{[(2E)-2-benzylidenehydrazinyl]carbonyl}-1H-1,2,3-triazol-5-yl]methyl}amino)benzamide
| Molecular Formula | C20H18N10O3 |
|---|---|
| Molecular Weight | 446.16 g/mol |
| LogP | 0.7074 |
| Topological Polar Surface Area | 192.23 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.15634 |
| Heavy Atoms | 33 |
| Complexity | 1312.644 |
Chemical Identifiers
| CAS Number | 849031-91-0 |
|---|---|
| SMILES | C1=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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide (CAS 849031-91-0), with molecular formula C20H18N10O3 and molecular weight 446.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-benzylideneamino]-5-[(2-carbamoylanilino)methyl]triazole-4-carboxamide.
Chemical Property Profile of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide
The XLogP value of 0.7074 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
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-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 849031-91-0.
What is the molecular formula of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is C20H18N10O3.
What is the molecular weight of (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide is 446.16 g/mol.
Where can I buy (E)-2-(((1-(4-amino-1,2,5-oxadiazol-3-yl)-4-(2-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-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-benzylidenehydrazinecarbonyl)-1H-1,2,3-triazol-5-yl)methyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.