5-Nitro-2-phenyl-1,3-benzoxazole
TL;DR: 5-Nitro-2-phenyl-1,3-benzoxazole (CAS 891-43-0) is a chemical compound with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenyl-1,3-benzoxazole
Also Known As: 5-nitro-2-phenyl-1,3-benzoxazole, Benzoxazole, 5-nitro-2-phenyl-, 5-nitro-2-phenylbenzo[d]oxazole, 5-Nitro-2-phenylbenzooxazole, 5-Nitro-2-phenyl-benzooxazole
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 71.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 891-43-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(O2)C=CC(=C3)[N+](=O)[O-] |
| InChIKey | PBRISAFILDFQFS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitro-2-phenyl-1,3-benzoxazole (CAS 891-43-0), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 5-nitro-2-phenyl-1,3-benzoxazole.
Chemical Property Profile of 5-Nitro-2-phenyl-1,3-benzoxazole
Property Insights of 5-Nitro-2-phenyl-1,3-benzoxazole
The XLogP value of 3.3 indicates that 5-Nitro-2-phenyl-1,3-benzoxazole 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 5-Nitro-2-phenyl-1,3-benzoxazole. Following Lipinski's Rule of Five, 5-Nitro-2-phenyl-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 5-Nitro-2-phenyl-1,3-benzoxazole?
The CAS number of 5-Nitro-2-phenyl-1,3-benzoxazole is 891-43-0.
What is the molecular formula of 5-Nitro-2-phenyl-1,3-benzoxazole?
The molecular formula of 5-Nitro-2-phenyl-1,3-benzoxazole is C13H8N2O3.
What is the molecular weight of 5-Nitro-2-phenyl-1,3-benzoxazole?
The molecular weight of 5-Nitro-2-phenyl-1,3-benzoxazole is 240.05 g/mol.
Where can I buy 5-Nitro-2-phenyl-1,3-benzoxazole?
You can request a quote for 5-Nitro-2-phenyl-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 5-Nitro-2-phenyl-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitro-2-phenyl-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.