2-(3,5-Dinitrophenyl)-1,3-benzoxazole
TL;DR: 2-(3,5-Dinitrophenyl)-1,3-benzoxazole (CAS 56629-42-6) 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.
2-(3,5-dinitrophenyl)-1,3-benzoxazole
Also Known As: 2-(3,5-dinitrophenyl)-1,3-benzoxazole, 2-(3,5-dinitrophenyl)benzoxazole, 2-(3,5-dinitro-phenyl)-benzooxazole, 2-{3,5-bisnitrophenyl}-1,3-benzoxazole
| 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 | 805.87415 |
Chemical Identifiers
| CAS Number | 56629-42-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(O2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
2-(3,5-Dinitrophenyl)-1,3-benzoxazole (CAS 56629-42-6), with molecular formula C13H7N3O5 and molecular weight 285.04 g/mol. IUPAC: 2-(3,5-dinitrophenyl)-1,3-benzoxazole.
Chemical Property Profile of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole
Property Insights of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole
The XLogP value of 3.3112 indicates that 2-(3,5-Dinitrophenyl)-1,3-benzoxazole 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-(3,5-Dinitrophenyl)-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-(3,5-Dinitrophenyl)-1,3-benzoxazole 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-(3,5-Dinitrophenyl)-1,3-benzoxazole?
The CAS number of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole is 56629-42-6.
What is the molecular formula of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole?
The molecular formula of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole is C13H7N3O5.
What is the molecular weight of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole?
The molecular weight of 2-(3,5-Dinitrophenyl)-1,3-benzoxazole is 285.04 g/mol.
Where can I buy 2-(3,5-Dinitrophenyl)-1,3-benzoxazole?
You can request a quote for 2-(3,5-Dinitrophenyl)-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-(3,5-Dinitrophenyl)-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,5-Dinitrophenyl)-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.