(2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide

• ChemBase ID: 175946
• Molecular Formular: C19H14F3N3O3
• Molecular Mass: 389.3279696
• Monoisotopic Mass: 389.09872598
• SMILES: c1c(c(cc(c1)NC(=O)[C@@](COc1ccc(cc1)C#N)(O)C)C(F)(F)F)C#N
• Canonical SMILES: N#Cc1ccc(cc1)OC[C@](C(=O)Nc1ccc(c(c1)C(F)(F)F)C#N)(O)C
• InChI: InChI=1S/C19H14F3N3O3/c1-18(27,11-28-15-6-2-12(9-23)3-7-15)17(26)25-14-5-4-13(10-24)16(8-14)19(20,21)22/h2-8,27H,11H2,1H3,(H,25,26)/t18-/m1/s1
• InChIKey: JNGVJMBLXIUVRD-GOSISDBHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide
• IUPAC Traditional name: ostarine
• Synonyms: (2R)-3-(4-Cyanophenoxy)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide; (R)-N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-(4-cyanophenoxy)-2-hydroxy-2-methylpropanamide; (R)-Ostarine

Database IDs

• CAS Number: 1132656-73-5
• PubChem SID: 164231856
• PubChem CID: 25226380

CALCULATED PROPERTIES

• Acid pKa: 11.946099
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 3.2725205
• LogD (pH = 7.4): 3.2725086
• Log P: 3.2725208
• Molar Refractivity: 95.0509 cm^3
• Polarizability: 34.619236 Å^3
• Polar Surface Area: 106.14 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

Toronto Research Chemicals - O703505

The R-enantiomer of nonsteroidal selective androgen receptor modulator (SARM) Ostarine (O703500).