(R)-5-Bromo-1-methyl-2-tritylisoindoline

Name: (R)-5-Bromo-1-methyl-2-tritylisoindoline
SKU: PI194805146
Rating: 5 (1 reviews)

Cat. No.: PI194805146

Product Details Other Identifiers Computed Properties

CAS	194805-14-6
Purity	95%
Molecular Formula	C28H24BrN
Molecular Weight	454.40
Molar Refractivity	131.73

MDL Number

MFCD12974714

Aromatic Heavy Atoms Number	24
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	6.18
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.14
Ghose	None
GI Absorption	Low
Heavy Atom Count	30
Hydrogen Bond Acceptor Count	1.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	2.0
Lipinski	1.0
Log Kp (Skin Permeation)	-4.03 cm/s
Log Po/w (iLOGP)	4.45
Log Po/w (MLOGP)	6.18
Log Po/w (SILICOS-IT)	6.8
Log Po/w (WLOGP)	6.35
Log Po/w (XLOGP3)	7.1
Muegge	2.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	4
Synthetic Accessibility	3.37
Topological Polar Surface Area	3.24 Å²
Veber	0.0

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