3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole
TL;DR: 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole (CAS 861350-99-4) is a chemical compound with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole
Also Known As: 3,5-bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole, 1,2,4-Oxadiazole, 3,5-di(1,3-benzodioxol-5-yl)-, A3924/0167000, BIS(2H-1,3-BENZODIOXOL-5-YL)-1,2,4-OXADIAZOLE
| Molecular Formula | C16H10N2O5 |
|---|---|
| Molecular Weight | 310.06 g/mol |
| LogP | 2.861 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 310.05896 |
| Heavy Atoms | 23 |
| Complexity | 833.23627 |
Chemical Identifiers
| CAS Number | 861350-99-4 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NOC(=N3)C4=CC5=C(C=C4)OCO5 |
Product Overview
3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole (CAS 861350-99-4), with molecular formula C16H10N2O5 and molecular weight 310.06 g/mol. IUPAC: 3,5-bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole.
Chemical Property Profile of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole
Property Insights of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole
The XLogP value of 2.861 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 7 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 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole?
The CAS number of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole is 861350-99-4.
What is the molecular formula of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole?
The molecular formula of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole is C16H10N2O5.
What is the molecular weight of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole?
The molecular weight of 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole is 310.06 g/mol.
Where can I buy 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole?
You can request a quote for 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.