2-Tert-butyl-5-chloro-6-nitrobenzoxazole
TL;DR: 2-Tert-butyl-5-chloro-6-nitrobenzoxazole (CAS 102405-54-9) is a chemical compound with molecular formula C11H11ClN2O3 and molecular weight 254.04582 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-tert-butyl-5-chloro-6-nitro-1,3-benzoxazole
Also Known As: 2-TERT-BUTYL-5-CHLORO-6-NITROBENZOXAZOLE, 2-tert-butyl-5-chloro-6-nitro-1,3-benzoxazole, BAS 00312169, Benzoxazole,5-chloro-2-(1,1-dimethylethyl)-6-nitro-, 2-(tert-butyl)-5-chloro-6-nitrobenzoxazole
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H11ClN2O3 |
| Molecular Weight | 254.04582 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 254.04582 Da |
| Heavy Atoms | 17 |
| Complexity | 313.0 |
| SMILES | CC(C)(C)C1=NC2=CC(=C(C=C2O1)[N+](=O)[O-])Cl |
| InChIKey | UQNSVSRPHNOKAY-UHFFFAOYSA-N |
Chemical Property Profile of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole
Property Insights of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole
The XLogP value of 3.9 indicates that 2-Tert-butyl-5-chloro-6-nitrobenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-5-chloro-6-nitrobenzoxazole. Following Lipinski's Rule of Five, 2-Tert-butyl-5-chloro-6-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
What is the CAS number of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole?
The CAS number of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole is 102405-54-9.
What is the molecular formula of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole?
The molecular formula of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole is C11H11ClN2O3.
What is the molecular weight of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole?
The molecular weight of 2-Tert-butyl-5-chloro-6-nitrobenzoxazole is 254.04582 g/mol.
Where can I buy 2-Tert-butyl-5-chloro-6-nitrobenzoxazole?
You can request a quote for 2-Tert-butyl-5-chloro-6-nitrobenzoxazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Tert-butyl-5-chloro-6-nitrobenzoxazole?
Yes, CoreyChem provides custom synthesis services for 2-Tert-butyl-5-chloro-6-nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.