6-Nitro-2-phenyl-1,3-benzoxazole
TL;DR: 6-Nitro-2-phenyl-1,3-benzoxazole (CAS 3164-28-1) 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.
6-nitro-2-phenyl-1,3-benzoxazole
Also Known As: 6-nitro-2-phenyl-1,3-benzoxazole, 2-phenyl-6-nitrobenzoxazole, 6-nitro-2-phenylbenzo[d]oxazole, phenyl-6-nitrobenzoxazole, Benzoxazole, 6-nitro-2-phenyl-
| 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 | 719.4394 |
Chemical Identifiers
| CAS Number | 3164-28-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NC3=C(O2)C=C(C=C3)[N+](=O)[O-] |
Product Overview
6-Nitro-2-phenyl-1,3-benzoxazole (CAS 3164-28-1), with molecular formula C13H8N2O3 and molecular weight 240.05 g/mol. IUPAC: 6-nitro-2-phenyl-1,3-benzoxazole.
Chemical Property Profile of 6-Nitro-2-phenyl-1,3-benzoxazole
Property Insights of 6-Nitro-2-phenyl-1,3-benzoxazole
The XLogP value of 3.403 indicates that 6-Nitro-2-phenyl-1,3-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 6-Nitro-2-phenyl-1,3-benzoxazole. Following Lipinski's Rule of Five, 6-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 6-Nitro-2-phenyl-1,3-benzoxazole?
The CAS number of 6-Nitro-2-phenyl-1,3-benzoxazole is 3164-28-1.
What is the molecular formula of 6-Nitro-2-phenyl-1,3-benzoxazole?
The molecular formula of 6-Nitro-2-phenyl-1,3-benzoxazole is C13H8N2O3.
What is the molecular weight of 6-Nitro-2-phenyl-1,3-benzoxazole?
The molecular weight of 6-Nitro-2-phenyl-1,3-benzoxazole is 240.05 g/mol.
Where can I buy 6-Nitro-2-phenyl-1,3-benzoxazole?
You can request a quote for 6-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 6-Nitro-2-phenyl-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 6-Nitro-2-phenyl-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.