2-Methyl-5-nitrobenzoxazole
TL;DR: 2-Methyl-5-nitrobenzoxazole (CAS 32046-51-8) is a chemical compound with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitro-1,3-benzoxazole
Also Known As: 2-methyl-5-nitro-1,3-benzoxazole, 2-Methyl-5-nitrobenzoxazole, 2-Methyl-5-nitrobenzo[d]oxazole, 5-nitro-2-methylbenzoxazole, EINECS 250-904-6
| Molecular Formula | C8H6N2O3 |
|---|---|
| Molecular Weight | 178.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.03784 |
| Heavy Atoms | 13 |
| Complexity | 216.0 |
Chemical Identifiers
| CAS Number | 32046-51-8 |
|---|---|
| SMILES | CC1=NC2=C(O1)C=CC(=C2)[N+](=O)[O-] |
| InChIKey | UCZSXRHVXKAGFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-5-nitrobenzoxazole (CAS 32046-51-8), with molecular formula C8H6N2O3 and molecular weight 178.04 g/mol. IUPAC: 2-methyl-5-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-Methyl-5-nitrobenzoxazole
Property Insights of 2-Methyl-5-nitrobenzoxazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-5-nitrobenzoxazole. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Methyl-5-nitrobenzoxazole. Following Lipinski's Rule of Five, 2-Methyl-5-nitrobenzoxazole has 0 hydrogen bond donor(s) and 4 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-nitrobenzoxazole?
The CAS number of 2-Methyl-5-nitrobenzoxazole is 32046-51-8.
What is the molecular formula of 2-Methyl-5-nitrobenzoxazole?
The molecular formula of 2-Methyl-5-nitrobenzoxazole is C8H6N2O3.
What is the molecular weight of 2-Methyl-5-nitrobenzoxazole?
The molecular weight of 2-Methyl-5-nitrobenzoxazole is 178.04 g/mol.
Where can I buy 2-Methyl-5-nitrobenzoxazole?
You can request a quote for 2-Methyl-5-nitrobenzoxazole 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-nitrobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-5-nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.