(3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate

Name: (3aR,4R,6S,6aS)-Methyl 4-((tert-butoxycarbonyl)amino)-3-(pentan-3-yl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d]isoxazole-6-carboxylate
SKU: PI229613938
Rating: 5 (1 reviews)

Cat. No.: PI229613938

Product Details Other Identifiers Computed Properties

CAS	229613-93-8
Purity	95%
Molecular Formula	C18H30N2O5
Molecular Weight	354.44
Molar Refractivity	98.31

Pubchem ID	10522092
InChI Key	WYUYCGDXMIJIAZ-KYEXWDHISA-N
MDL Number	MFCD18206350

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	2.61
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Egan	0.0
Fraction Csp3	0.83
Ghose	None
GI Absorption	High
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	6.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	2.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.52 cm/s
Log Po/w (iLOGP)	3.32
Log Po/w (MLOGP)	1.94
Log Po/w (SILICOS-IT)	2.56
Log Po/w (WLOGP)	2.5
Log Po/w (XLOGP3)	2.74
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	9
Synthetic Accessibility	5.01
Topological Polar Surface Area	86.22 Å²
Veber	0.0

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