tert-Butyl 2-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate

Name: tert-Butyl 2-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate
SKU: PI1226781823
Rating: 5 (1 reviews)

Catalog NumberPI1226781823

CAS Number1226781-82-3

CategoryBlood Glucose Regulators Intermediates

tert-Butyl 2-(methylsulfonyl)-4,6-dihydropyrrolo[3,4-c]pyrazole-5(2H)-carboxylate

Product Details

Purity	97%
Molecular Formula	C11H17N3O4S
Molecular Weight	287.34
Molar Refractivity	72.83

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Other Identifiers

Pubchem ID	71151276
InChI Key	SNEHALFDVXIDSZ-UHFFFAOYSA-N
MDL Number	MFCD24467621

Computed Properties

Aromatic Heavy Atoms Number	5
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.9
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	0.64
Ghose	None
GI Absorption	High
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5.0
Hydrogen Bond Donor Count	0.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-7.91 cm/s
Log Po/w (iLOGP)	2.45
Log Po/w (MLOGP)	0.99
Log Po/w (SILICOS-IT)	-0.51
Log Po/w (WLOGP)	1.34
Log Po/w (XLOGP3)	0.2
Muegge	0.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	4
Synthetic Accessibility	2.89
Topological Polar Surface Area	89.88 Å²
Veber	0.0

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