![2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one structure](/static/products/4628/4628-97-1.webp)
2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
TL;DR: 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one (CAS 4628-97-1) is a chemical compound with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
Also Known As: 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one, 2-(2-chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one
| Molecular Formula | C20H17ClN2O6 |
|---|---|
| Molecular Weight | 416.08 g/mol |
| LogP | 4.3901 |
| Topological Polar Surface Area | 100.26 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 416.0775 |
| Heavy Atoms | 29 |
| Complexity | 1031.6266 |
Chemical Identifiers
| CAS Number | 4628-97-1 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=C2C(=O)OC(=N2)C3=C(C=C(C=C3)[N+](=O)[O-])Cl)OCC |
Product Overview
2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one (CAS 4628-97-1), with molecular formula C20H17ClN2O6 and molecular weight 416.08 g/mol. IUPAC: 2-(2-chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5-one.
Chemical Property Profile of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
Property Insights of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one
The XLogP value of 4.3901 indicates that 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one. Following Lipinski's Rule of Five, 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-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 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one?
The CAS number of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one is 4628-97-1.
What is the molecular formula of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one?
The molecular formula of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one is C20H17ClN2O6.
What is the molecular weight of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one?
The molecular weight of 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one is 416.08 g/mol.
Where can I buy 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one?
You can request a quote for 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Chloro-4-nitrophenyl)-4-[(3,4-diethoxyphenyl)methylidene]-1,3-oxazol-5(4H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.