2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate

Name: 2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate
SKU: PI1280210801
Rating: 5 (1 reviews)

Catalog NumberPI1280210801

CAS Number1280210-80-1

CategoryBlood Glucose Regulators Intermediates

2-(Methylsulfonyl)-2,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole benzenesulfonate

Product Details

Purity	98%
Molecular Formula	C12H15N3O5S2
Molecular Weight	345.39
Molar Refractivity	83.29

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Other Identifiers

Pubchem ID	57518502
InChI Key	PKMDOTHXIGJTKH-UHFFFAOYSA-N
MDL Number	MFCD28144046

Computed Properties

Aromatic Heavy Atoms Number	11
BBB Permeant	No
Bioavailability Score	0.55
Brenk	1.0 alert
Consensus Log Po/w	0.12
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	1.0
Fraction Csp3	0.25
Ghose	None
GI Absorption	High
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	7.0
Hydrogen Bond Donor Count	2.0
Leadlikeness	0.0
Lipinski	0.0
Log Kp (Skin Permeation)	-10.35 cm/s
Log Po/w (iLOGP)	1.28
Log Po/w (MLOGP)	0.85
Log Po/w (SILICOS-IT)	-0.5
Log Po/w (WLOGP)	1.7
Log Po/w (XLOGP3)	-2.73
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	2
Synthetic Accessibility	3.0
Topological Polar Surface Area	135.12 Å²
Veber	0.0

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