Benzyl 3-oxoazetidine-1-carboxylate

Name: Benzyl 3-oxoazetidine-1-carboxylate
SKU: PI105258933
Rating: 5 (1 reviews)

Catalog NumberPI105258933

CAS Number105258-93-3

CategoryAntineoplastics Intermediates

Product Details

Purity	97%
Molecular Formula	C11H11NO3
Molecular Weight	205.21
Molar Refractivity	57.21

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Other Identifiers

Pubchem ID	10632047
InChI Key	VLMMTGKGDOAYER-UHFFFAOYSA-N
MDL Number	MFCD09954923

Computed Properties

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	1.26
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.27
Ghose	None
GI Absorption	High
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.65 cm/s
Log Po/w (iLOGP)	2.1
Log Po/w (MLOGP)	0.77
Log Po/w (SILICOS-IT)	1.47
Log Po/w (WLOGP)	0.68
Log Po/w (XLOGP3)	1.27
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	1.87
Topological Polar Surface Area	46.61 Å²
Veber	0.0

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