(S)-tert-Butyl 2-(5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

Name: (S)-tert-Butyl 2-(5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SKU: PI1228551969
Rating: 5 (1 reviews)

Cat. No.: PI1228551969

Product Details Other Identifiers Computed Properties

CAS	1228551-96-9
Purity	95%
Molecular Formula	C22H24BrN3O2
Molecular Weight	442.35
Molar Refractivity	119.06

Pubchem ID	59610569
InChI Key	YRKPXLLHPXXZJJ-IBGZPJMESA-N
MDL Number	MFCD26392790

Aromatic Heavy Atoms Number	15
BBB Permeant	Yes
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	4.44
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.36
Ghose	None
GI Absorption	High
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	3.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-5.51 cm/s
Log Po/w (iLOGP)	3.76
Log Po/w (MLOGP)	3.33
Log Po/w (SILICOS-IT)	4.84
Log Po/w (WLOGP)	5.36
Log Po/w (XLOGP3)	4.91
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	Yes
Rotatable Bond Count	5
Synthetic Accessibility	3.71
Topological Polar Surface Area	58.22 Å²
Veber	0.0

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