1-Cbz-3-Hydroxyazetidine

Cat. No.: PI128117226

Product Details Other Identifiers Computed Properties

CAS	128117-22-6
Purity	97%
Molecular Formula	C11H13NO3
Molecular Weight	207.23
Molar Refractivity	58.17

Pubchem ID	10081755
InChI Key	XJWSNDGCJMGHSR-UHFFFAOYSA-N
MDL Number	MFCD09037849

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	3.0
Rotatable Bond Count	4
Topological Polar Surface Area	49.77 Å²
Heavy Atom Count	15
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.36
Log Po/w (iLOGP)	2.12
Log Po/w (XLOGP3)	0.78
Log Po/w (WLOGP)	0.47
Log Po/w (MLOGP)	0.86
Log Po/w (SILICOS-IT)	0.88
Consensus Log Po/w	1.02
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.01 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	2.49

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