![4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one structure](/static/products/2187/21873-12-1.webp)
4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
TL;DR: 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CAS 21873-12-1) is a chemical compound with molecular formula C17H10N2O6 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Also Known As: NCIOpen2_009240, 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-o, 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one, 5(4H)-Oxazolone,4-[(6-nitro-1,3-benzodioxol-5-yl)methylene]-2-phenyl-, 4-((6-nitrobenzo[d]1,3-dioxolen-5-yl)methylene)-2-phenyl-1,3-oxazolin-5-one
| Molecular Formula | C17H10N2O6 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.0539 |
| Heavy Atoms | 25 |
| Complexity | 619.0 |
Chemical Identifiers
| CAS Number | 21873-12-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)OC(=N3)C4=CC=CC=C4)[N+](=O)[O-] |
| InChIKey | QBQIKAXJQIMVPH-UHFFFAOYSA-N |
Product Overview
4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one (CAS 21873-12-1), with molecular formula C17H10N2O6 and molecular weight 338.05 g/mol. IUPAC: 4-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one.
Chemical Property Profile of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
Property Insights of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one
The XLogP value of 3.2 indicates that 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one. Following Lipinski's Rule of Five, 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one has 0 hydrogen bond donor(s) and 7 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 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The CAS number of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is 21873-12-1.
What is the molecular formula of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The molecular formula of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is C17H10N2O6.
What is the molecular weight of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
The molecular weight of 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one is 338.05 g/mol.
Where can I buy 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
You can request a quote for 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 4-[(6-Nitro-1,3-benzodioxol-5-yl)methylidene]-2-phenyl-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.