2-(3-Nitrophenyl)benzoxazole
TL;DR: 2-(3-Nitrophenyl)benzoxazole (CAS 840-56-2) 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-(3-nitrophenyl)-1,3-benzoxazole
Also Known As: 2-(3-Nitrophenyl)benzoxazole, 2-(3-Nitrophenyl)-benzoxazole, 2-(3-nitrophenyl)-1,3-benzoxazole, 2-(m-Nitrophenyl)benzoxazole, 2-(3'-nitrophenyl)benzoxazole
| Molecular Formula | C13H8N2O3 |
|---|---|
| Molecular Weight | 240.05 g/mol |
| LogP | 3.403 |
| Topological Polar Surface Area | 69.17 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 240.0535 |
| Heavy Atoms | 18 |
| Complexity | 700.6894 |
Chemical Identifiers
| CAS Number | 840-56-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-(3-Nitrophenyl)benzoxazole (CAS 840-56-2), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 2-(3-nitrophenyl)-1,3-benzoxazole.
Chemical Property Profile of 2-(3-Nitrophenyl)benzoxazole
Property Insights of 2-(3-Nitrophenyl)benzoxazole
The XLogP value of 3.403 indicates that 2-(3-Nitrophenyl)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-(3-Nitrophenyl)benzoxazole. Following Lipinski's Rule of Five, 2-(3-Nitrophenyl)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-(3-Nitrophenyl)benzoxazole?
The CAS number of 2-(3-Nitrophenyl)benzoxazole is 840-56-2.
What is the molecular formula of 2-(3-Nitrophenyl)benzoxazole?
The molecular formula of 2-(3-Nitrophenyl)benzoxazole is C13H8N2O3.
What is the molecular weight of 2-(3-Nitrophenyl)benzoxazole?
The molecular weight of 2-(3-Nitrophenyl)benzoxazole is 240.05 g/mol.
Where can I buy 2-(3-Nitrophenyl)benzoxazole?
You can request a quote for 2-(3-Nitrophenyl)benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-Nitrophenyl)benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Nitrophenyl)benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.