(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
TL;DR: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587014-41-3) is a chemical compound with molecular formula C18H23N9O3 and molecular weight 413.19 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-[(dimethylamino)methyl]-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(dimethylaminomethyl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]triazole-4-carboxamide, 1-(4-AMINO-1,2,5-OXADIAZOL-3-YL)-5-[(DIMETHYLAMINO)METHYL]-N'-[(E)-[4-(PROPAN-2-YLOXY)PHENYL]METHYLIDENE]-1H-1,2,3-TRIAZOLE-4-CARBOHYDRAZIDE, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C18H23N9O3 |
|---|---|
| Molecular Weight | 413.19 g/mol |
| LogP | 0.8452 |
| Topological Polar Surface Area | 149.58 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 413.19238 |
| Heavy Atoms | 30 |
| Complexity | 1021.9591 |
Chemical Identifiers
| CAS Number | 587014-41-3 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)CN(C)C |
Product Overview
(E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide (CAS 587014-41-3), with molecular formula C18H23N9O3 and molecular weight 413.19 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(dimethylamino)methyl]-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
Property Insights of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide
The XLogP value of 0.8452 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-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-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-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-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-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-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The CAS number of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 587014-41-3.
What is the molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular formula of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is C18H23N9O3.
What is the molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
The molecular weight of (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide is 413.19 g/mol.
Where can I buy (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide?
You can request a quote for (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-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-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-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-((dimethylamino)methyl)-N'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.