TL;DR: PD 116152 (CAS 101708-64-9) is a chemical compound with molecular formula C16H12N2O6 and molecular weight 328.06955 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxylate
Also Known As: PD 116152, methyl 7-hydroxy-6-(hydroxymethylidene)-8-methyl-4,9-dioxo-10H-phenazine-1-carboxylate, 1-Phenazinecarboxylic acid, 6-formyl-4,7,9-trihydroxy-8-methyl-, methyl ester, 6-Formyl-4,7,9-trihydroxy-8-methyl-1-phenazinecarboxylic acid, methyl ester, NSC 373235
| Molecular Formula | C16H12N2O6 |
| Molecular Weight | 328.06955 g/mol |
| XLogP | 0.2 |
| Topological Polar Surface Area (TPSA) | 125.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 328.06955 Da |
| Heavy Atoms | 24 |
| Complexity | 896.0 |
| SMILES | CC1=C(C(=CO)C2=C(C1=O)NC3=C(C=CC(=O)C3=N2)C(=O)OC)O |
| InChIKey | DPMHKBMRFUGOOD-UHFFFAOYSA-N |
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for PD 116152. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for PD 116152. Following Lipinski's Rule of Five, PD 116152 has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of PD 116152 is 101708-64-9.
The molecular formula of PD 116152 is C16H12N2O6.
The molecular weight of PD 116152 is 328.06955 g/mol.
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