2-Butyl-6-nitrobenzoxazole
TL;DR: 2-Butyl-6-nitrobenzoxazole (CAS 886360-96-9) is a chemical compound with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-6-nitro-1,3-benzoxazole
Also Known As: 2-butyl-6-nitro-1,3-benzoxazole, 2-Butyl-6-nitrobenzo[d]oxazole, 2-butyl-6-nitrobenzoxazole, 2-butyl-6-nitro-Benzoxazole, Benzoxazole, 2-butyl-6-nitro-
| Molecular Formula | C11H12N2O3 |
|---|---|
| Molecular Weight | 220.08 g/mol |
| LogP | 3.0786 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 220.0848 |
| Heavy Atoms | 16 |
| Complexity | 518.9241 |
Chemical Identifiers
| CAS Number | 886360-96-9 |
|---|---|
| SMILES | CCCCC1=NC2=C(O1)C=C(C=C2)[N+](=O)[O-] |
Product Overview
2-Butyl-6-nitrobenzoxazole (CAS 886360-96-9), with molecular formula C11H12N2O3 and molecular weight 220.08 g/mol. IUPAC: 2-butyl-6-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-Butyl-6-nitrobenzoxazole
Property Insights of 2-Butyl-6-nitrobenzoxazole
The XLogP value of 3.0786 indicates that 2-Butyl-6-nitrobenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyl-6-nitrobenzoxazole. Following Lipinski's Rule of Five, 2-Butyl-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
Frequently Asked Questions
What is the CAS number of 2-Butyl-6-nitrobenzoxazole?
The CAS number of 2-Butyl-6-nitrobenzoxazole is 886360-96-9.
What is the molecular formula of 2-Butyl-6-nitrobenzoxazole?
The molecular formula of 2-Butyl-6-nitrobenzoxazole is C11H12N2O3.
What is the molecular weight of 2-Butyl-6-nitrobenzoxazole?
The molecular weight of 2-Butyl-6-nitrobenzoxazole is 220.08 g/mol.
Where can I buy 2-Butyl-6-nitrobenzoxazole?
You can request a quote for 2-Butyl-6-nitrobenzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Butyl-6-nitrobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Butyl-6-nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.