![2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate structure](/static/products/674/674357-89-2.png)
2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate
TL;DR: 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate (CAS 674357-89-2) is a chemical compound with molecular formula C23H15NO6 and molecular weight 401.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
Also Known As: 2-[(3-nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate, (2Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-methylbenzoate, (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-methylbenzoate, [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate
| Molecular Formula | C23H15NO6 |
|---|---|
| Molecular Weight | 401.09 g/mol |
| LogP | 4.73862 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.08994 |
| Heavy Atoms | 30 |
| Complexity | 1210.6179 |
Chemical Identifiers
| CAS Number | 674357-89-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC3=C(C=C2)C(=O)/C(=C/C4=CC(=CC=C4)[N+](=O)[O-])/O3 |
Product Overview
2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate (CAS 674357-89-2), with molecular formula C23H15NO6 and molecular weight 401.09 g/mol. IUPAC: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-methylbenzoate.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate
Property Insights of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate
The XLogP value of 4.73862 indicates that 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate has 0 hydrogen bond donor(s) and 6 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-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate?
The CAS number of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate is 674357-89-2.
What is the molecular formula of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate?
The molecular formula of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate is C23H15NO6.
What is the molecular weight of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate?
The molecular weight of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate is 401.09 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate?
You can request a quote for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.