Benzoxazole, 2-(4-nitrophenyl)-
TL;DR: Benzoxazole, 2-(4-nitrophenyl)- (CAS 840-58-4) 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.
2-(4-nitrophenyl)-1,3-benzoxazole
Also Known As: Benzoxazole, 2-(4-nitrophenyl)-, 2-(4-Nitrophenyl)benzoxazole, 2-(4-Nitro-phenyl)-benzooxazole, 2-(4-nitrophenyl)benzo[d]oxazole, 2- -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 | 310.0 |
Chemical Identifiers
| CAS Number | 840-58-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | KLOXEYMSPNBMHD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoxazole, 2-(4-nitrophenyl)- (CAS 840-58-4), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 2-(4-nitrophenyl)-1,3-benzoxazole.
Chemical Property Profile of Benzoxazole, 2-(4-nitrophenyl)-
Property Insights of Benzoxazole, 2-(4-nitrophenyl)-
The XLogP value of 3.3 indicates that Benzoxazole, 2-(4-nitrophenyl)- 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 Benzoxazole, 2-(4-nitrophenyl)-. Following Lipinski's Rule of Five, Benzoxazole, 2-(4-nitrophenyl)- 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 Benzoxazole, 2-(4-nitrophenyl)-?
The CAS number of Benzoxazole, 2-(4-nitrophenyl)- is 840-58-4.
What is the molecular formula of Benzoxazole, 2-(4-nitrophenyl)-?
The molecular formula of Benzoxazole, 2-(4-nitrophenyl)- is C13H8N2O3.
What is the molecular weight of Benzoxazole, 2-(4-nitrophenyl)-?
The molecular weight of Benzoxazole, 2-(4-nitrophenyl)- is 240.05 g/mol.
Where can I buy Benzoxazole, 2-(4-nitrophenyl)-?
You can request a quote for Benzoxazole, 2-(4-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoxazole, 2-(4-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoxazole, 2-(4-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.