(Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
TL;DR: (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate (CAS 622794-85-8) is a chemical compound with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
Also Known As: (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate, VU0616778-1, (2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl morpholine-4-carboxylate, F3385-0996, [(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate
| Molecular Formula | C20H16N2O7 |
|---|---|
| Molecular Weight | 396.10 g/mol |
| LogP | 3.042 |
| Topological Polar Surface Area | 108.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 396.09576 |
| Heavy Atoms | 29 |
| Complexity | 1007.9898 |
Chemical Identifiers
| CAS Number | 622794-85-8 |
|---|---|
| SMILES | C1COCCN1C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC=C(C=C4)[N+](=O)[O-])/O3 |
Product Overview
(Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate (CAS 622794-85-8), with molecular formula C20H16N2O7 and molecular weight 396.10 g/mol. IUPAC: [(2Z)-2-[(4-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] morpholine-4-carboxylate.
Chemical Property Profile of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
Property Insights of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate
The XLogP value of 3.042 indicates that (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.21 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate. Following Lipinski's Rule of Five, (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate 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 (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate?
The CAS number of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate is 622794-85-8.
What is the molecular formula of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate?
The molecular formula of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate is C20H16N2O7.
What is the molecular weight of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate?
The molecular weight of (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate is 396.10 g/mol.
Where can I buy (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate?
You can request a quote for (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl morpholine-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.