4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
TL;DR: 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine (CAS 890093-91-1) is a chemical compound with molecular formula C11H8N6O3 and molecular weight 272.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[5-(1,3-benzodioxol-5-yl)triazol-1-yl]-1,2,5-oxadiazol-3-amine
Also Known As: ZERO/005829, 4-[5-(1,3-benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-amine, 4-(5-(Benzo[d][1,3]dioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine, 4-[5-(1,3-benzodioxol-5-yl)triazol-1-yl]-1,2,5-oxadiazol-3-amine, 4-[5-(2H-1,3-BENZODIOXOL-5-YL)-1H-1,2,3-TRIAZOL-1-YL]-1,2,5-OXADIAZOL-3-AMINE
| Molecular Formula | C11H8N6O3 |
|---|---|
| Molecular Weight | 272.07 g/mol |
| LogP | 0.6282 |
| Topological Polar Surface Area | 114.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.0658 |
| Heavy Atoms | 20 |
| Complexity | 780.0689 |
Chemical Identifiers
| CAS Number | 890093-91-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=CN=NN3C4=NON=C4N |
Product Overview
4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine (CAS 890093-91-1), with molecular formula C11H8N6O3 and molecular weight 272.07 g/mol. IUPAC: 4-[5-(1,3-benzodioxol-5-yl)triazol-1-yl]-1,2,5-oxadiazol-3-amine.
Chemical Property Profile of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
Property Insights of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine
The XLogP value of 0.6282 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine. The TPSA of 114.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine. Following Lipinski's Rule of Five, 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine has 1 hydrogen bond donor(s) and 8 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 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine?
The CAS number of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine is 890093-91-1.
What is the molecular formula of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine?
The molecular formula of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine is C11H8N6O3.
What is the molecular weight of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine?
The molecular weight of 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine is 272.07 g/mol.
Where can I buy 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine?
You can request a quote for 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-(1,3-Benzodioxol-5-yl)-1H-1,2,3-triazol-1-yl)-1,2,5-oxadiazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.