1-heptyl-2-methyl-9H-carbazol-3-ol

• ChemBase ID: 155598
• Molecular Formular: C20H25NO
• Molecular Mass: 295.4186
• Monoisotopic Mass: 295.19361443
• SMILES: CCCCCCCc1c(c(cc2c1[nH]c1c2cccc1)O)C
• Canonical SMILES: CCCCCCCc1c(C)c(O)cc2c1[nH]c1c2cccc1
• InChI: InChI=1S/C20H25NO/c1-3-4-5-6-7-10-15-14(2)19(22)13-17-16-11-8-9-12-18(16)21-20(15)17/h8-9,11-13,21-22H,3-7,10H2,1-2H3
• InChIKey: ADLBIVFEKWBVKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-heptyl-2-methyl-9H-carbazol-3-ol
• IUPAC Traditional name: 1-heptyl-2-methyl-9H-carbazol-3-ol
• Synonyms: Carazostatin

Database IDs

• CAS Number: 126168-32-9
• MDL Number: MFCD01076561
• PubChem SID: 162249736
• PubChem CID: 130857

CALCULATED PROPERTIES

• Acid pKa: 9.622915
• H Acceptors: 1
• H Donor: 2
• LogD (pH = 5.5): 6.4815426
• LogD (pH = 7.4): 6.4789996
• Log P: 6.481575
• Molar Refractivity: 93.1415 cm^3
• Polarizability: 38.400307 Å^3
• Polar Surface Area: 36.02 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: pale yellow

Safety Information

• RTECS: FE6366000
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: -20°C

Product Information

• Biological Source: from Streptomyces chrestomyceticus
• Shipped in: wet ice
• Mol. Weight: mol wt 295.4
• Empirical Formula (Hill Notation): C20H25NO

DETAILS

Sigma Aldrich - C0734

Application
Potent inhibitor of lipid peroxidation induced by free radicals in rat brain homogenates (IC50 = 170 nM) and lipid peroxidation in mouse plasma (ID50 = 21.7 mg/kg; oral).