2-Benzyloctahydropyrrolo[3,4-c]pyrrole

Name: 2-Benzyloctahydropyrrolo[3,4-c]pyrrole
SKU: PI86732221
Rating: 5 (1 reviews)

Cat. No.: PI86732221

Product Details Other Identifiers Computed Properties

CAS	86732-22-1
Purity	95%
Molecular Formula	C13H18N2
Molecular Weight	202.30
Molar Refractivity	69.55

Pubchem ID	4454387
InChI Key	AOBSJQWEYXEPBK-UHFFFAOYSA-N
MDL Number	MFCD04115126

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	2
Topological Polar Surface Area	15.27 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.54
Log Po/w (iLOGP)	2.41
Log Po/w (XLOGP3)	1.39
Log Po/w (WLOGP)	0.42
Log Po/w (MLOGP)	2.02
Log Po/w (SILICOS-IT)	2.06
Consensus Log Po/w	1.66
GI Absorption	Low
BBB Permeant	No
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-6.55 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	0.0 alert
Leadlikeness	1.0
Synthetic Accessibility	2.05

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