(R)-1-Amino-2-propanol

(R)-1-Amino-2-propanol

Cat. No.: PI2799168

Product Details Other Identifiers Computed Properties
CAS 2799-16-8
Synonyms (R)-1-Aminopropan-2-ol
Purity 95%
Molecular Formula C3H9NO
Linear Formula H2NCH2CH(OH)CH3
Molecular Weight 75.11
Molar Refractivity 20.4
Pubchem ID 439938
InChI Key HXKKHQJGJAFBHI-GSVOUGTGSA-N
MDL Number MFCD00064428
Hydrogen Bond Donor Count 2.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 1
Topological Polar Surface Area 46.25 Ų
Heavy Atom Count 5
Aromatic Heavy Atoms Number 0
Fraction Csp3 1.0
Log Po/w (iLOGP) 1.13
Log Po/w (XLOGP3) -0.96
Log Po/w (WLOGP) -0.67
Log Po/w (MLOGP) -0.63
Log Po/w (SILICOS-IT) -0.78
Consensus Log Po/w -0.39
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -7.44 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 2.0
Bioavailability Score 0.55
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 1.0
Synthetic Accessibility 1.0

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