C21H19ClN8O3
TL;DR: C21H19ClN8O3 (CAS 585550-02-3) is a chemical compound with molecular formula C21H19ClN8O3 and molecular weight 466.12686 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(2-chlorophenyl)ethylideneamino]-5-(4-ethoxyphenyl)triazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(2-chlorophenyl)ethylidene)-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2-chlorophenyl)ethylidene]-5-(4-ethoxyphenyl)-1H-1,2,3-triazole-4-carbohydrazide
Technical Specifications
| Molecular Formula | C21H19ClN8O3 |
| Molecular Weight | 466.12686 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 466.12686 Da |
| Heavy Atoms | 33 |
| Complexity | 692.0 |
| SMILES | CCOC1=CC=C(C=C1)C2=C(N=NN2C3=NON=C3N)C(=O)N/N=C(\C)/C4=CC=CC=C4Cl |
| InChIKey | NOELTQKABWKRFF-WYMPLXKRSA-N |
Chemical Property Profile of C21H19ClN8O3
Property Insights of C21H19ClN8O3
The XLogP value of 3.3 indicates that C21H19ClN8O3 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 146.0 Ų indicates high polarity, suggesting C21H19ClN8O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C21H19ClN8O3 has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of C21H19ClN8O3?
The CAS number of C21H19ClN8O3 is 585550-02-3.
What is the molecular formula of C21H19ClN8O3?
The molecular formula of C21H19ClN8O3 is C21H19ClN8O3.
What is the molecular weight of C21H19ClN8O3?
The molecular weight of C21H19ClN8O3 is 466.12686 g/mol.
Where can I buy C21H19ClN8O3?
You can request a quote for C21H19ClN8O3 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C21H19ClN8O3?
Yes, CoreyChem provides custom synthesis services for C21H19ClN8O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.