C22H20N8O5
TL;DR: C22H20N8O5 (CAS 861111-91-3) is a chemical compound with molecular formula C22H20N8O5 and molecular weight 476.16 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-(1,3-benzodioxol-5-yl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]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'-(4-isopropoxybenzylidene)-1H-1,2,3-triazole-4-carbohydrazide, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N'-{(E)-[4-(propan-2-yloxy)phenyl]methylidene}-1H-1,2,3-triazole-4-carbohydrazide
| Molecular Formula | C22H20N8O5 |
|---|---|
| Molecular Weight | 476.16 g/mol |
| LogP | 2.1793 |
| Topological Polar Surface Area | 164.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 476.15567 |
| Heavy Atoms | 35 |
| Complexity | 1393.3544 |
Chemical Identifiers
| CAS Number | 861111-91-3 |
|---|---|
| SMILES | CC(C)OC1=CC=C(C=C1)/C=N/NC(=O)C2=C(N(N=N2)C3=NON=C3N)C4=CC5=C(C=C4)OCO5 |
Product Overview
C22H20N8O5 (CAS 861111-91-3), with molecular formula C22H20N8O5 and molecular weight 476.16 g/mol. IUPAC: 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-(1,3-benzodioxol-5-yl)-N-[(E)-(4-propan-2-yloxyphenyl)methylideneamino]triazole-4-carboxamide.
Chemical Property Profile of C22H20N8O5
Property Insights of C22H20N8O5
The XLogP value of 2.1793 suggests moderate lipophilicity, balancing water solubility and membrane permeability for C22H20N8O5. The TPSA of 164.8 Ų indicates high polarity, suggesting C22H20N8O5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, C22H20N8O5 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 C22H20N8O5?
The CAS number of C22H20N8O5 is 861111-91-3.
What is the molecular formula of C22H20N8O5?
The molecular formula of C22H20N8O5 is C22H20N8O5.
What is the molecular weight of C22H20N8O5?
The molecular weight of C22H20N8O5 is 476.16 g/mol.
Where can I buy C22H20N8O5?
You can request a quote for C22H20N8O5 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H20N8O5?
Yes, KEHONG BIO provides custom synthesis services for C22H20N8O5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.