TL;DR: 4,4'-Carbonyldiphthalic anhydride (CAS 2421-28-5) is a chemical compound with molecular formula C17H6O7 and molecular weight 322.01135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1,3-dioxo-2-benzofuran-5-carbonyl)-2-benzofuran-1,3-dione
Also Known As: Benzophenonetetracarboxylic dianhydride, 4,4'-Carbonyldiphthalic anhydride, 3,3',4,4'-Benzophenonetetracarboxylic dianhydride, BTDA, 1,3-Isobenzofurandione, 5,5'-carbonylbis-
Top 5 of 9 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C17H6O7 |
| Molecular Weight | 322.01135 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 322.01135 Da |
| Heavy Atoms | 24 |
| Complexity | 597.0 |
| SMILES | C1=CC2=C(C=C1C(=O)C3=CC4=C(C=C3)C(=O)OC4=O)C(=O)OC2=O |
| InChIKey | VQVIHDPBMFABCQ-UHFFFAOYSA-N |
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Carbonyldiphthalic anhydride. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Carbonyldiphthalic anhydride. Following Lipinski's Rule of Five, 4,4'-Carbonyldiphthalic anhydride has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4,4'-Carbonyldiphthalic anhydride is 2421-28-5.
The molecular formula of 4,4'-Carbonyldiphthalic anhydride is C17H6O7.
The molecular weight of 4,4'-Carbonyldiphthalic anhydride is 322.01135 g/mol.
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