2-(2-((4-Fluorobenzyl)thio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic acid

2-(2-((4-Fluorobenzyl)thio)-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl)acetic acid

Cat. No.: PI356058429

Product Details Other Identifiers Computed Properties
CAS 356058-42-9
Purity 97%
Molecular Formula C16H15FN2O3S
Molecular Weight 334.37
Molar Refractivity 85.13
Pubchem ID 9880779
InChI Key DJGRXBDYBUKPOC-UHFFFAOYSA-N
MDL Number MFCD21337366
Hydrogen Bond Donor Count 1.0
Hydrogen Bond Acceptor Count 5.0
Rotatable Bond Count 5
Topological Polar Surface Area 97.49 Ų
Heavy Atom Count 23
Aromatic Heavy Atoms Number 12
Fraction Csp3 0.31
Log Po/w (iLOGP) 1.62
Log Po/w (XLOGP3) 2.26
Log Po/w (WLOGP) 2.52
Log Po/w (MLOGP) 2.5
Log Po/w (SILICOS-IT) 3.29
Consensus Log Po/w 2.44
GI Absorption High
BBB Permeant No
P-gp Substrate No
CYP1A2Inhibitor No
CYP2C19Inhibitor No
CYP2C9Inhibitor No
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -6.74 cm/s
Lipinski 0.0
Ghose None
Veber 0.0
Egan 0.0
Muegge 0.0
Bioavailability Score 0.56
PAINS 0.0 alert
Brenk 0.0 alert
Leadlikeness 0.0
Synthetic Accessibility 3.11

* Our products are for research use only.

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