tert-Butyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate

Name: tert-Butyl 4-(((methylsulfonyl)oxy)methyl)piperidine-1-carboxylate
SKU: PI161975399
Rating: 5 (1 reviews)

Cat. No.: PI161975399

Product Details Other Identifiers Computed Properties

CAS	161975-39-9
Purity	95%
Molecular Formula	C12H23NO5S
Molecular Weight	293.38
Molar Refractivity	76.26

Pubchem ID	2765838
InChI Key	RXNQBVRCZIYUJK-UHFFFAOYSA-N
MDL Number	MFCD02082459

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	5.0
Rotatable Bond Count	6
Topological Polar Surface Area	81.29 Å²
Heavy Atom Count	19
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.92
Log Po/w (iLOGP)	2.96
Log Po/w (XLOGP3)	1.28
Log Po/w (WLOGP)	2.31
Log Po/w (MLOGP)	1.21
Log Po/w (SILICOS-IT)	0.38
Consensus Log Po/w	1.63
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.18 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	0.0
Synthetic Accessibility	2.88

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