C21H20N8O4
TL;DR: C21H20N8O4 (CAS 877804-33-6) is a chemical compound with molecular formula C21H20N8O4 and molecular weight 448.16 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)-5-(3-ethoxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-(2-methoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N'-[(E)-(2-methoxyphenyl)methylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H20N8O4 |
|---|---|
| Molecular Weight | 448.16 g/mol |
| LogP | 2.0707 |
| Topological Polar Surface Area | 155.57 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 448.16074 |
| Heavy Atoms | 33 |
| Complexity | 1296.924 |
Chemical Identifiers
| CAS Number | 877804-33-6 |
|---|---|
| SMILES | CCOC1=CC=CC(=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C/C4=CC=CC=C4OC |
Product Overview
C21H20N8O4 (CAS 877804-33-6), with molecular formula C21H20N8O4 and molecular weight 448.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(3-ethoxyphenyl)-N-[(E)-(2-methoxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C21H20N8O4
Property Insights of C21H20N8O4
The XLogP value of 2.0707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H20N8O4. The TPSA of 155.57 Ų indicates high polarity, suggesting C21H20N8O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H20N8O4 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 C21H20N8O4?
The CAS number of C21H20N8O4 is 877804-33-6.
What is the molecular formula of C21H20N8O4?
The molecular formula of C21H20N8O4 is C21H20N8O4.
What is the molecular weight of C21H20N8O4?
The molecular weight of C21H20N8O4 is 448.16 g/mol.
Where can I buy C21H20N8O4?
You can request a quote for C21H20N8O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H20N8O4?
Yes, KEHONG BIO provides custom synthesis services for C21H20N8O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.