![(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one structure](/static/products/926/92664-01-2.png)
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one
TL;DR: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one (CAS 92664-01-2) is a chemical compound with molecular formula C18H13N3O8 and molecular weight 399.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one
Also Known As: BAS 00437283, (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one, 2-{3,5-bisnitrophenyl}-4-(3,4-dimethoxybenzylidene)-1,3-oxazol-5(4H)-one, 4-(3,4-Dimethoxy-benzylidene)-2-(3,5-dinitro-phenyl)-4H-oxazol-5-one, 4-[(3,4-dimethoxyphenyl)methylene]-2-(3,5-dinitrophenyl)-1,3-oxazolin-5-one
| Molecular Formula | C18H13N3O8 |
|---|---|
| Molecular Weight | 399.07 g/mol |
| LogP | 2.8647 |
| Topological Polar Surface Area | 143.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 399.07025 |
| Heavy Atoms | 29 |
| Complexity | 1058.2589 |
Chemical Identifiers
| CAS Number | 92664-01-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)OC(=N2)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])OC |
Product Overview
(4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one (CAS 92664-01-2), with molecular formula C18H13N3O8 and molecular weight 399.07 g/mol. IUPAC: (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one.
Chemical Property Profile of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one
Property Insights of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one
The XLogP value of 2.8647 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one. The TPSA of 143.4 Ų indicates high polarity, suggesting (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one has 0 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 (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one?
The CAS number of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one is 92664-01-2.
What is the molecular formula of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one?
The molecular formula of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one is C18H13N3O8.
What is the molecular weight of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one?
The molecular weight of (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one is 399.07 g/mol.
Where can I buy (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one?
You can request a quote for (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-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 (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for (4E)-4-[(3,4-dimethoxyphenyl)methylidene]-2-(3,5-dinitrophenyl)-1,3-oxazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.