TL;DR: 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone (CAS 166442-35-9) is a chemical compound with molecular formula C16H14N2O6 and molecular weight 330.08517 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoic acid
Also Known As: 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone, 2'-CARBOXY-4-DIMETHYLAMINO-2-HYDROXY-4'NITROBENZOPHENONE, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitrobenzoic acid, Benzoic acid, 2-[4-(dimethylamino)-2-hydroxybenzoyl]-5-nitro-, 2-(4-dimethylamino-2-hydroxy-benzoyl)-5-nitro-benzoic Acid
| Molecular Formula | C16H14N2O6 |
| Molecular Weight | 330.08517 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.08517 Da |
| Heavy Atoms | 24 |
| Complexity | 503.0 |
| SMILES | CN(C)C1=CC(=C(C=C1)C(=O)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)O |
| InChIKey | PRRWAMBIGMTQIQ-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone. Following Lipinski's Rule of Five, 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone has 2 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 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone is 166442-35-9.
The molecular formula of 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone is C16H14N2O6.
The molecular weight of 2'-Carboxy-4-dimethylamino-2-hydroxy-4'-nitrobenzophenone is 330.08517 g/mol.
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