2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole
TL;DR: 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole (CAS 22815-99-2) is a chemical compound with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazole
Also Known As: 2-Methyl-5-(4-nitrophenyl)-1,3,4-oxadiazole, butyl tert-butylcarbamate, 5-Methyl-2-[4-(nitrophenyl)-1,3,4-oxadiazole, 2-methyl-5-(4-nitro-phenyl)-[1,3,4]oxadiazole, 1,3,4-Oxadiazole,2-methyl-5-(4-nitrophenyl)-
| Molecular Formula | C9H7N3O3 |
|---|---|
| Molecular Weight | 205.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.04874 |
| Heavy Atoms | 15 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 22815-99-2 |
|---|---|
| SMILES | CC1=NN=C(O1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GYXVCRNXNQDIMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole (CAS 22815-99-2), with molecular formula C9H7N3O3 and molecular weight 205.05 g/mol. IUPAC: 2-methyl-5-(4-nitrophenyl)-1,3,4-oxadiazole.
Chemical Property Profile of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole
Property Insights of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole. Following Lipinski's Rule of Five, 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)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 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole?
The CAS number of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole is 22815-99-2.
What is the molecular formula of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole?
The molecular formula of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole is C9H7N3O3.
What is the molecular weight of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole?
The molecular weight of 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole is 205.05 g/mol.
Where can I buy 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole?
You can request a quote for 2-Methyl-5-(4-nitro-phenyl)-(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-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-(4-nitro-phenyl)-(1,3,4)oxadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.