C21H16N8O6
TL;DR: C21H16N8O6 (CAS 849018-56-0) is a chemical compound with molecular formula C21H16N8O6 and molecular weight 476.12 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-(1,3-benzodioxol-5-yl)-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(benzo[d][1,3]dioxol-5-yl)-N'-(1-(benzo[d][1,3]dioxol-5-yl)ethylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-[(1E)-1-(1,3-benzodioxol-5-yl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H16N8O6 |
|---|---|
| Molecular Weight | 476.12 g/mol |
| LogP | 1.5109 |
| Topological Polar Surface Area | 174.03 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 476.1193 |
| Heavy Atoms | 35 |
| Complexity | 1492.9587 |
Chemical Identifiers
| CAS Number | 849018-56-0 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)/C5=CC6=C(C=C5)OCO6 |
Product Overview
C21H16N8O6 (CAS 849018-56-0), with molecular formula C21H16N8O6 and molecular weight 476.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C21H16N8O6
Property Insights of C21H16N8O6
The XLogP value of 1.5109 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H16N8O6. The TPSA of 174.03 Ų indicates high polarity, suggesting C21H16N8O6 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H16N8O6 has 2 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H16N8O6?
The CAS number of C21H16N8O6 is 849018-56-0.
What is the molecular formula of C21H16N8O6?
The molecular formula of C21H16N8O6 is C21H16N8O6.
What is the molecular weight of C21H16N8O6?
The molecular weight of C21H16N8O6 is 476.12 g/mol.
Where can I buy C21H16N8O6?
You can request a quote for C21H16N8O6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H16N8O6?
Yes, KEHONG BIO provides custom synthesis services for C21H16N8O6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.