2-(4-Nitrophenyl)-5-nitrobenzoxazole
TL;DR: 2-(4-Nitrophenyl)-5-nitrobenzoxazole (CAS 1037-39-4) is a chemical compound with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-(4-nitrophenyl)-1,3-benzoxazole
Also Known As: 2-(4-nitrophenyl)-5-nitrobenzoxazole, 2-(p-nitrophenyl)-5-nitrobenzoxazole, 5-nitro-2-(4-nitrophenyl)benzoxazole, 5-nitro-2-(4-nitrophenyl)-1,3-benzoxazole, BAS 00015716
| Molecular Formula | C13H7N3O5 |
|---|---|
| Molecular Weight | 285.04 g/mol |
| LogP | 3.3112 |
| Topological Polar Surface Area | 112.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 285.03857 |
| Heavy Atoms | 21 |
| Complexity | 853.87415 |
Chemical Identifiers
| CAS Number | 1037-39-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(4-Nitrophenyl)-5-nitrobenzoxazole (CAS 1037-39-4), with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol. IUPAC: 5-nitro-2-(4-nitrophenyl)-1,3-benzoxazole.
Chemical Property Profile of 2-(4-Nitrophenyl)-5-nitrobenzoxazole
Property Insights of 2-(4-Nitrophenyl)-5-nitrobenzoxazole
The XLogP value of 3.3112 indicates that 2-(4-Nitrophenyl)-5-nitrobenzoxazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.31 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-5-nitrobenzoxazole. Following Lipinski's Rule of Five, 2-(4-Nitrophenyl)-5-nitrobenzoxazole has 0 hydrogen bond donor(s) and 6 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-Nitrophenyl)-5-nitrobenzoxazole?
The CAS number of 2-(4-Nitrophenyl)-5-nitrobenzoxazole is 1037-39-4.
What is the molecular formula of 2-(4-Nitrophenyl)-5-nitrobenzoxazole?
The molecular formula of 2-(4-Nitrophenyl)-5-nitrobenzoxazole is C13H7N3O5.
What is the molecular weight of 2-(4-Nitrophenyl)-5-nitrobenzoxazole?
The molecular weight of 2-(4-Nitrophenyl)-5-nitrobenzoxazole is 285.04 g/mol.
Where can I buy 2-(4-Nitrophenyl)-5-nitrobenzoxazole?
You can request a quote for 2-(4-Nitrophenyl)-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-(4-Nitrophenyl)-5-nitrobenzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-5-nitrobenzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.