A1286/0058643
TL;DR: A1286/0058643 (CAS 1098593-72-6) is a chemical compound with molecular formula C17H20N10O4 and molecular weight 428.17 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-(diethylaminomethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
Also Known As: A1286/0058643, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-{3-nitrobenzylidene}-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[(diethylamino)methyl]-N'-[(E)-(3-nitrophenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide
| Molecular Formula | C17H20N10O4 |
|---|---|
| Molecular Weight | 428.17 g/mol |
| LogP | 0.7464 |
| Topological Polar Surface Area | 183.49 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.1669 |
| Heavy Atoms | 31 |
| Complexity | 1102.0348 |
Chemical Identifiers
| CAS Number | 1098593-72-6 |
|---|---|
| SMILES | CCN(CC)CC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C/C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
A1286/0058643 (CAS 1098593-72-6), with molecular formula C17H20N10O4 and molecular weight 428.17 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(diethylaminomethyl)-N-[(E)-(3-nitrophenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of A1286/0058643
Property Insights of A1286/0058643
The XLogP value of 0.7464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A1286/0058643. The TPSA of 183.49 Ų indicates high polarity, suggesting A1286/0058643 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, A1286/0058643 has 2 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 A1286/0058643?
The CAS number of A1286/0058643 is 1098593-72-6.
What is the molecular formula of A1286/0058643?
The molecular formula of A1286/0058643 is C17H20N10O4.
What is the molecular weight of A1286/0058643?
The molecular weight of A1286/0058643 is 428.17 g/mol.
Where can I buy A1286/0058643?
You can request a quote for A1286/0058643 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A1286/0058643?
Yes, KEHONG BIO provides custom synthesis services for A1286/0058643 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.