2,5-Dioxopyrrolidin-1-yl benzoate

Name: 2,5-Dioxopyrrolidin-1-yl benzoate
SKU: PI23405154
Rating: 5 (1 reviews)

Cat. No.: PI23405154

Product Details Other Identifiers Computed Properties

CAS	23405-15-4
Purity	97%
Molecular Formula	C11H9NO4
Linear Formula	C4H4N(O2)(O2CC6H5)
Molecular Weight	219.19
Molar Refractivity	57.24

Pubchem ID	716426
InChI Key	BVUOEDOMUOJKOY-UHFFFAOYSA-N
MDL Number	MFCD00078953

Aromatic Heavy Atoms Number	6
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	1.05
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.18
Ghose	None
GI Absorption	High
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.01 cm/s
Log Po/w (iLOGP)	1.45
Log Po/w (MLOGP)	1.35
Log Po/w (SILICOS-IT)	1.05
Log Po/w (WLOGP)	0.53
Log Po/w (XLOGP3)	0.89
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	3
Synthetic Accessibility	1.89
Topological Polar Surface Area	63.68 Å²
Veber	0.0

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