3-(3-Nitrophenyl)-1,2,4-oxadiazole
TL;DR: 3-(3-Nitrophenyl)-1,2,4-oxadiazole (CAS 90049-83-5) is a chemical compound with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-nitrophenyl)-1,2,4-oxadiazole
Also Known As: 3-(3-nitrophenyl)-1,2,4-oxadiazole, Maybridge1_000648, 5-nitrophenyl-1,2,4-oxadiazole, 1-D-4-O-METHYL-MYO-INOSITOL, 3-(1,2,4-Oxadiazol-3-yl)nitrobenzene
| Molecular Formula | C8H5N3O3 |
|---|---|
| Molecular Weight | 191.03 g/mol |
| LogP | 1.6448 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.0331 |
| Heavy Atoms | 14 |
| Complexity | 452.61487 |
Chemical Identifiers
| CAS Number | 90049-83-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C2=NOC=N2 |
Product Overview
3-(3-Nitrophenyl)-1,2,4-oxadiazole (CAS 90049-83-5), with molecular formula C8H5N3O3 and molecular weight 191.03 g/mol. IUPAC: 3-(3-nitrophenyl)-1,2,4-oxadiazole.
Chemical Property Profile of 3-(3-Nitrophenyl)-1,2,4-oxadiazole
Property Insights of 3-(3-Nitrophenyl)-1,2,4-oxadiazole
The XLogP value of 1.6448 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(3-Nitrophenyl)-1,2,4-oxadiazole. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(3-Nitrophenyl)-1,2,4-oxadiazole. Following Lipinski's Rule of Five, 3-(3-Nitrophenyl)-1,2,4-oxadiazole has 0 hydrogen bond donor(s) and 5 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-(3-Nitrophenyl)-1,2,4-oxadiazole?
The CAS number of 3-(3-Nitrophenyl)-1,2,4-oxadiazole is 90049-83-5.
What is the molecular formula of 3-(3-Nitrophenyl)-1,2,4-oxadiazole?
The molecular formula of 3-(3-Nitrophenyl)-1,2,4-oxadiazole is C8H5N3O3.
What is the molecular weight of 3-(3-Nitrophenyl)-1,2,4-oxadiazole?
The molecular weight of 3-(3-Nitrophenyl)-1,2,4-oxadiazole is 191.03 g/mol.
Where can I buy 3-(3-Nitrophenyl)-1,2,4-oxadiazole?
You can request a quote for 3-(3-Nitrophenyl)-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-(3-Nitrophenyl)-1,2,4-oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(3-Nitrophenyl)-1,2,4-oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.