(S)-tert-Butyl 4-oxo-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

Cat. No.: PI401564361

Product Details Other Identifiers Computed Properties

CAS	401564-36-1
Purity	95%
Molecular Formula	C13H20N2O4S
Molecular Weight	300.37
Molar Refractivity	83.7

Pubchem ID	58516805
InChI Key	ULXKZRPRLJGLDM-JTQLQIEISA-N
MDL Number	MFCD22665915

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	5
Topological Polar Surface Area	92.22 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	0
Fraction Csp3	0.77
Log Po/w (iLOGP)	2.47
Log Po/w (XLOGP3)	0.75
Log Po/w (WLOGP)	0.34
Log Po/w (MLOGP)	0.27
Log Po/w (SILICOS-IT)	0.84
Consensus Log Po/w	0.93
GI Absorption	High
BBB Permeant	No
P-gp Substrate	No
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-7.6 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	3.49

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