2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)
TL;DR: 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) (CAS 7460-54-0) is a chemical compound with molecular formula C15H12N4O8 and molecular weight 376.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4,5-dihydro-1,3-oxazole;2,4,6-trinitrophenol
Also Known As: 2-phenyl-4,5-dihydro-1,3-oxazole,2,4,6-trinitrophenol, 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1), 2-phenyl-4,5-dihydro-1,3-oxazole; 2,4,6-trinitrophenol, 2,4,6-trinitrophenol- 2-phenyl-4,5-dihydro-1,3-oxazole(1:1), RefChem:245862
| Molecular Formula | C15H12N4O8 |
|---|---|
| Molecular Weight | 376.07 g/mol |
| LogP | 2.5802 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.06552 |
| Heavy Atoms | 27 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 7460-54-0 |
|---|---|
| SMILES | C1COC(=N1)C2=CC=CC=C2.C1=C(C=C(C(=C1[N+](=O)[O-])O)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SUHLRSHIZXBABG-UHFFFAOYSA-N |
Product Overview
2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) (CAS 7460-54-0), with molecular formula C15H12N4O8 and molecular weight 376.07 g/mol. IUPAC: 2-phenyl-4,5-dihydro-1,3-oxazole;2,4,6-trinitrophenol.
Chemical Property Profile of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)
Property Insights of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)
The XLogP value of 2.5802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1). The TPSA of 179.0 Ų indicates high polarity, suggesting 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) has 1 hydrogen bond donor(s) and 9 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 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)?
The CAS number of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) is 7460-54-0.
What is the molecular formula of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)?
The molecular formula of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) is C15H12N4O8.
What is the molecular weight of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)?
The molecular weight of 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) is 376.07 g/mol.
Where can I buy 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)?
You can request a quote for 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Trinitrophenol--2-phenyl-4,5-dihydro-1,3-oxazole (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.