(S)-tert-Butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate

Name: (S)-tert-Butyl 2-((2-(4-bromophenyl)-2-oxoethyl)carbamoyl)pyrrolidine-1-carboxylate
SKU: PI1007881982
Rating: 5 (1 reviews)

Cat. No.: PI1007881982

Product Details Other Identifiers Computed Properties

CAS	1007881-98-2
Purity	95%
Molecular Formula	C18H23BrN2O4
Molecular Weight	411.29
Molar Refractivity	101.82

Pubchem ID	56605334
InChI Key	ZUVCUAVWIIYSEL-AWEZNQCLSA-N
MDL Number	MFCD21496634

Aromatic Heavy Atoms Number	6
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	2.76
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.5
Ghose	None
GI Absorption	High
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	4.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.62 cm/s
Log Po/w (iLOGP)	3.39
Log Po/w (MLOGP)	1.87
Log Po/w (SILICOS-IT)	2.71
Log Po/w (WLOGP)	2.77
Log Po/w (XLOGP3)	3.08
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	8
Synthetic Accessibility	3.1
Topological Polar Surface Area	75.71 Å²
Veber	0.0

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