TL;DR: 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione (CAS 834901-67-6) is a chemical compound with molecular formula C17H10ClNO6 and molecular weight 359.01965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)oxolane-2,3-dione
Also Known As: AT-057/11869095, 4-[(4-chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)oxolane-2,3-dione, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-5-(4-nitrophenyl)dihydrofuran-2,3-dione
| Molecular Formula | C17H10ClNO6 |
| Molecular Weight | 359.01965 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 109.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 359.01965 Da |
| Heavy Atoms | 25 |
| Complexity | 597.0 |
| SMILES | C1=CC(=CC=C1C2/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C(=O)O2)[N+](=O)[O-] |
| InChIKey | UUWWCGZXBZCMPD-YPKPFQOOSA-N |
The XLogP value of 3.8 indicates that 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione. Following Lipinski's Rule of Five, 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione is 834901-67-6.
The molecular formula of 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione is C17H10ClNO6.
The molecular weight of 4-[(4-Chlorophenyl)(hydroxy)methylene]-5-(4-nitrophenyl)dihydro-2,3-furandione is 359.01965 g/mol.
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