(Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
TL;DR: (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate (CAS 956193-75-2) is a chemical compound with molecular formula C27H19N3O7 and molecular weight 497.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate
Also Known As: (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate, F1673-6917, methyl (2Z)-2-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate, methyl (2Z)-2-{[3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]methylidene}-3-oxo-2,3-dihydro-1-benzofuran-5-carboxylate
| Molecular Formula | C27H19N3O7 |
|---|---|
| Molecular Weight | 497.12 g/mol |
| LogP | 4.8589 |
| Topological Polar Surface Area | 122.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.1223 |
| Heavy Atoms | 37 |
| Complexity | 1589.0452 |
Chemical Identifiers
| CAS Number | 956193-75-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=NN(C=C2/C=C\3/C(=O)C4=C(O3)C=CC(=C4)C(=O)OC)C5=CC=CC=C5)[N+](=O)[O-] |
Product Overview
(Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate (CAS 956193-75-2), with molecular formula C27H19N3O7 and molecular weight 497.12 g/mol. IUPAC: methyl (2Z)-2-[[3-(4-methoxy-3-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-3-oxo-1-benzofuran-5-carboxylate.
Chemical Property Profile of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
Property Insights of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate
The XLogP value of 4.8589 indicates that (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 122.79 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate. Following Lipinski's Rule of Five, (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate 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)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The CAS number of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is 956193-75-2.
What is the molecular formula of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The molecular formula of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is C27H19N3O7.
What is the molecular weight of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
The molecular weight of (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate is 497.12 g/mol.
Where can I buy (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
You can request a quote for (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-methyl 2-((3-(4-methoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl)methylene)-3-oxo-2,3-dihydrobenzofuran-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.