(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-81-2) is a chemical compound with molecular formula C22H29N9O3 and molecular weight 467.24 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-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[cyclohexyl(methyl)amino]methyl}-N'-[(2E)-1-phenoxypropan-2-ylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H29N9O3 |
|---|---|
| Molecular Weight | 467.24 g/mol |
| LogP | 2.1817 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.23935 |
| Heavy Atoms | 34 |
| Complexity | 1119.8562 |
Chemical Identifiers
| CAS Number | 862104-81-2 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)CN(C)C3CCCCC3)/COC4=CC=CC=C4 |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 862104-81-2), with molecular formula C22H29N9O3 and molecular weight 467.24 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[cyclohexyl(methyl)amino]methyl]-N-[(E)-1-phenoxypropan-2-ylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 2.1817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide. The TPSA of 149.58 Ų indicates high polarity, suggesting (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide has 2 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)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 862104-81-2.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is C22H29N9O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide is 467.24 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((cyclohexyl(methyl)amino)methyl)-N'-(1-phenoxypropan-2-ylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.