(Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
TL;DR: (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate (CAS 713129-69-2) is a chemical compound with molecular formula C24H15NO8 and molecular weight 445.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(Z)-[6-(4-nitrobenzoyl)oxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate
Also Known As: (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate, 2-{[4-(methoxycarbonyl)phenyl]methylene}-3-oxobenzo[3,4-b]furan-6-yl 4-nitrobe nzoate, methyl 4-[(Z)-[6-(4-nitrobenzoyl)oxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate, Methyl 4-[[6-(4-nitrobenzoyl)oxy-3-oxo-benzofuran-2-ylidene]methyl]benzoate, (2Z)-2-[4-(methoxycarbonyl)benzylidene]-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-nitrobenzoate
| Molecular Formula | C24H15NO8 |
|---|---|
| Molecular Weight | 445.08 g/mol |
| LogP | 4.2168 |
| Topological Polar Surface Area | 122.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.07977 |
| Heavy Atoms | 33 |
| Complexity | 1307.2958 |
Chemical Identifiers
| CAS Number | 713129-69-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)[N+](=O)[O-] |
Product Overview
(Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate (CAS 713129-69-2), with molecular formula C24H15NO8 and molecular weight 445.08 g/mol. IUPAC: methyl 4-[(Z)-[6-(4-nitrobenzoyl)oxy-3-oxo-1-benzofuran-2-ylidene]methyl]benzoate.
Chemical Property Profile of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
Property Insights of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate
The XLogP value of 4.2168 indicates that (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.04 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate. Following Lipinski's Rule of Five, (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate has 0 hydrogen bond donor(s) and 8 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-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The CAS number of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is 713129-69-2.
What is the molecular formula of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The molecular formula of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is C24H15NO8.
What is the molecular weight of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
The molecular weight of (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate is 445.08 g/mol.
Where can I buy (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
You can request a quote for (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-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-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-2-(4-(methoxycarbonyl)benzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.