(Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate
TL;DR: (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate (CAS 622366-47-6) is a chemical compound with molecular formula C21H13NO7 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate
Also Known As: (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate, (2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 3-nitrobenzoate, F3385-2568, [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate, 2-[(5-methyl(2-furyl))methylene]-3-oxobenzo[3,4-b]furan-6-yl 3-nitrobenzoate
| Molecular Formula | C21H13NO7 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 4.33162 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.0692 |
| Heavy Atoms | 29 |
| Complexity | 1189.2452 |
Chemical Identifiers
| CAS Number | 622366-47-6 |
|---|---|
| SMILES | CC1=CC=C(O1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC(=CC=C4)[N+](=O)[O-] |
Product Overview
(Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate (CAS 622366-47-6), with molecular formula C21H13NO7 and molecular weight 391.07 g/mol. IUPAC: [(2Z)-2-[(5-methylfuran-2-yl)methylidene]-3-oxo-1-benzofuran-6-yl] 3-nitrobenzoate.
Chemical Property Profile of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate
Property Insights of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate
The XLogP value of 4.33162 indicates that (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate. Following Lipinski's Rule of Five, (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate 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-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate?
The CAS number of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate is 622366-47-6.
What is the molecular formula of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate?
The molecular formula of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate is C21H13NO7.
What is the molecular weight of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate?
The molecular weight of (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate is 391.07 g/mol.
Where can I buy (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate?
You can request a quote for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-((5-methylfuran-2-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-6-yl 3-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.