phenanthridin-6-ol

• ChemBase ID: 106036
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: Oc1nc2ccccc2c2ccccc12
• Canonical SMILES: Oc1nc2ccccc2c2c1cccc2
• InChI: InChI=1S/C13H9NO/c15-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)14-13/h1-8H,(H,14,15)
• InChIKey: RZFVLEJOHSLEFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenanthridin-6-ol
• IUPAC Traditional name: phenanthridin-6-ol
• Synonyms: 6 (5H)-PHENANTHRIDINONE; PARP Inhibitor; 6(5H)-PHENANTHRIDINONE

Database IDs

• CAS Number: 1015-89-0
• EC Number: 213-804-3
• PubChem SID: 162092899
• PubChem CID: 1853

CALCULATED PROPERTIES

• Acid pKa: 12.000242
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4110458
• LogD (pH = 7.4): 3.4112558
• Log P: 3.4112694
• Molar Refractivity: 58.7239 cm^3
• Polarizability: 25.234638 Å^3
• Polar Surface Area: 33.12 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 290-292°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: SG0370000

Product Information

• Purity: ≥95%; ≥98%

DETAILS

MP Biomedicals - 02196028

Purity: >98%
Displays immunosuppressive activity. Inhibits concanavalin A-induced lymphocyte proliferation at micromolar concentrations.

MP Biomedicals - 02199122

Purity:≥95%
PARP Inhibitor