2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
TL;DR: 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CAS 350998-71-9) is a chemical compound with molecular formula C15H9N3O5 and molecular weight 311.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
Also Known As: 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole, 2-(1,3-benzodioxol-5-yl)-5-{3-nitrophenyl}-1,3,4-oxadiazole, 2-(2H-1,3-BENZODIOXOL-5-YL)-5-(3-NITROPHENYL)-1,3,4-OXADIAZOLE, 5-[5-(3-nitrophenyl)-1,3,4-oxadiazol-2-yl]-2H-benzo[d]1,3-dioxolene, Cambridge id 5398995
| Molecular Formula | C15H9N3O5 |
|---|---|
| Molecular Weight | 311.05 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 311.05423 |
| Heavy Atoms | 23 |
| Complexity | 445.0 |
Chemical Identifiers
| CAS Number | 350998-71-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)C3=NN=C(O3)C4=CC(=CC=C4)[N+](=O)[O-] |
| InChIKey | RCNNPKVZVYQDCH-UHFFFAOYSA-N |
Product Overview
2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole (CAS 350998-71-9), with molecular formula C15H9N3O5 and molecular weight 311.05 g/mol. IUPAC: 2-(1,3-benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
Property Insights of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole. Following Lipinski's Rule of Five, 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-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 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The CAS number of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is 350998-71-9.
What is the molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The molecular formula of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is C15H9N3O5.
What is the molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
The molecular weight of 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole is 311.05 g/mol.
Where can I buy 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
You can request a quote for 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(1,3-Benzodioxol-5-yl)-5-(3-nitrophenyl)-1,3,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.