C18H22N8O3
TL;DR: C18H22N8O3 (CAS 861146-91-0) is a chemical compound with molecular formula C18H22N8O3 and molecular weight 398.18 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)-N-[(E)-1-(2-ethoxyphenyl)ethylideneamino]-5-propyltriazole-4-carboxamide
Also Known As: (E)-1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(1-(2-ethoxyphenyl)ethylidene)-5-propyl-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(1E)-1-(2-ethoxyphenyl)ethylidene]-5-propyl-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C18H22N8O3 |
|---|---|
| Molecular Weight | 398.18 g/mol |
| LogP | 1.7377 |
| Topological Polar Surface Area | 146.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 398.1815 |
| Heavy Atoms | 29 |
| Complexity | 1023.79517 |
Chemical Identifiers
| CAS Number | 861146-91-0 |
|---|---|
| SMILES | CCCC1=C(N=NN1C2=NON=C2N)C(=O)N/N=C(\C)/C3=CC=CC=C3OCC |
Product Overview
C18H22N8O3 (CAS 861146-91-0), with molecular formula C18H22N8O3 and molecular weight 398.18 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(E)-1-(2-ethoxyphenyl)ethylideneamino]-5-propyltriazole-4-carboxamide.
Chemical Property Profile of C18H22N8O3
Property Insights of C18H22N8O3
The XLogP value of 1.7377 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C18H22N8O3. The TPSA of 146.34 Ų indicates high polarity, suggesting C18H22N8O3 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C18H22N8O3 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
Frequently Asked Questions
What is the CAS number of C18H22N8O3?
The CAS number of C18H22N8O3 is 861146-91-0.
What is the molecular formula of C18H22N8O3?
The molecular formula of C18H22N8O3 is C18H22N8O3.
What is the molecular weight of C18H22N8O3?
The molecular weight of C18H22N8O3 is 398.18 g/mol.
Where can I buy C18H22N8O3?
You can request a quote for C18H22N8O3 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C18H22N8O3?
Yes, KEHONG BIO provides custom synthesis services for C18H22N8O3 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.