![2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate structure](/static/products/714/714242-67-8.png)
2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate
TL;DR: 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate (CAS 714242-67-8) is a chemical compound with molecular formula C22H12ClNO6 and molecular weight 421.04 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-chlorobenzoate
Also Known As: (Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydrobenzofuran-6-yl 4-chlorobenzoate, [2-[(3-nitrophenyl)methylidene]-3-oxo-benzofuran-6-yl] 4-chlorobenzoate, 2-[(3-nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate, (2Z)-2-(3-nitrobenzylidene)-3-oxo-2,3-dihydro-1-benzofuran-6-yl 4-chlorobenzoate, [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzoate
| Molecular Formula | C22H12ClNO6 |
|---|---|
| Molecular Weight | 421.04 g/mol |
| LogP | 5.0836 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 421.0353 |
| Heavy Atoms | 30 |
| Complexity | 1216.5524 |
Chemical Identifiers
| CAS Number | 714242-67-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=C\2/C(=O)C3=C(O2)C=C(C=C3)OC(=O)C4=CC=C(C=C4)Cl |
Product Overview
2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate (CAS 714242-67-8), with molecular formula C22H12ClNO6 and molecular weight 421.04 g/mol. IUPAC: [(2Z)-2-[(3-nitrophenyl)methylidene]-3-oxo-1-benzofuran-6-yl] 4-chlorobenzoate.
Chemical Property Profile of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate
Property Insights of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate
The XLogP value of 5.0836 indicates that 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate 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-chlorobenzoate. Following Lipinski's Rule of Five, 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
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-chlorobenzoate?
The CAS number of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate is 714242-67-8.
What is the molecular formula of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate?
The molecular formula of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate is C22H12ClNO6.
What is the molecular weight of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate?
The molecular weight of 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate is 421.04 g/mol.
Where can I buy 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate?
You can request a quote for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate 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-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Nitrophenyl)methylene]-3-oxobenzo[3,4-b]furan-6-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.