2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole
TL;DR: 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole (CAS 112606-70-9) is a chemical compound with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-tert-butylphenyl)-5-nitro-1,3-benzoxazole
Also Known As: 2-(4-tert-butylphenyl)-5-nitro-1,3-benzoxazole, 2-[4-(1,1-Dimethylethyl)phenyl]-5-nitrobenzoxazole, 5-Nitro-2-[4-tert-butylphenyl]benzoxazole, Benzoxazole, 2-[4-(1,1-dimethylethyl)phenyl]-5-nitro-
| Molecular Formula | C17H16N2O3 |
|---|---|
| Molecular Weight | 296.12 g/mol |
| LogP | 4.7005 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 296.1161 |
| Heavy Atoms | 22 |
| Complexity | 842.46173 |
Chemical Identifiers
| CAS Number | 112606-70-9 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] |
Product Overview
2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole (CAS 112606-70-9), with molecular formula C17H16N2O3 and molecular weight 296.12 g/mol. IUPAC: 2-(4-tert-butylphenyl)-5-nitro-1,3-benzoxazole.
Chemical Property Profile of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole
Property Insights of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole
The XLogP value of 4.7005 indicates that 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole 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-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole 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-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole?
The CAS number of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole is 112606-70-9.
What is the molecular formula of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole?
The molecular formula of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole is C17H16N2O3.
What is the molecular weight of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole?
The molecular weight of 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole is 296.12 g/mol.
Where can I buy 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole?
You can request a quote for 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Tert-butylphenyl)-5-nitro-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.