C21H15N9O4
TL;DR: C21H15N9O4 (CAS 862184-16-5) is a chemical compound with molecular formula C21H15N9O4 and molecular weight 457.12 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-(4-cyanophenyl)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-(4-cyanophenyl)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-(4-cyanophenyl)ethylidene]-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C21H15N9O4 |
|---|---|
| Molecular Weight | 457.12 g/mol |
| LogP | 1.65388 |
| Topological Polar Surface Area | 179.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 457.1247 |
| Heavy Atoms | 34 |
| Complexity | 1464.3832 |
Chemical Identifiers
| CAS Number | 862184-16-5 |
|---|---|
| SMILES | C/C(=N\NC(=O)C1=C(N(N=N1)C2=NON=C2N)C3=CC4=C(C=C3)OCO4)/C5=CC=C(C=C5)C#N |
Product Overview
C21H15N9O4 (CAS 862184-16-5), with molecular formula C21H15N9O4 and molecular weight 457.12 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-1-(4-cyanophenyl)ethylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C21H15N9O4
Property Insights of C21H15N9O4
The XLogP value of 1.65388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C21H15N9O4. The TPSA of 179.36 Ų indicates high polarity, suggesting C21H15N9O4 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H15N9O4 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 C21H15N9O4?
The CAS number of C21H15N9O4 is 862184-16-5.
What is the molecular formula of C21H15N9O4?
The molecular formula of C21H15N9O4 is C21H15N9O4.
What is the molecular weight of C21H15N9O4?
The molecular weight of C21H15N9O4 is 457.12 g/mol.
Where can I buy C21H15N9O4?
You can request a quote for C21H15N9O4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H15N9O4?
Yes, KEHONG BIO provides custom synthesis services for C21H15N9O4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.