3-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

Name: 3-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride
SKU: PI52407928
Rating: 5 (1 reviews)

Catalog NumberPI52407928

CAS Number52407-92-8

CategoryAntivirals Intermediates

3-Methyl-3,8-diazabicyclo[3.2.1]octane dihydrochloride

Product Details

Purity	95%
Molecular Formula	C7H16Cl2N2
Molecular Weight	199.12
Molar Refractivity	58.99

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Other Identifiers

Pubchem ID	22924350
InChI Key	CFPCKNVBSYLJHT-UHFFFAOYSA-N
MDL Number	MFCD18083726

Computed Properties

Aromatic Heavy Atoms Number	0
BBB Permeant	No
Bioavailability Score	0.55
Brenk	0.0 alert
Consensus Log Po/w	0.92
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Egan	0.0
Fraction Csp3	1.0
Ghose	None
GI Absorption	High
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2.0
Hydrogen Bond Donor Count	1.0
Leadlikeness	1.0
Lipinski	0.0
Log Kp (Skin Permeation)	-6.22 cm/s
Log Po/w (iLOGP)	0.0
Log Po/w (MLOGP)	1.22
Log Po/w (SILICOS-IT)	0.66
Log Po/w (WLOGP)	0.89
Log Po/w (XLOGP3)	1.83
Muegge	1.0
PAINS	0.0 alert
P-gp Substrate	No
Rotatable Bond Count	0
Synthetic Accessibility	3.01
Topological Polar Surface Area	15.27 Å²
Veber	0.0

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