5,5,5',5'-Tetramethyl-2,2'-bi(1,3,2-dioxaborinane)

Cat. No.: PI201733564

Product Details Other Identifiers Computed Properties

CAS	201733-56-4
Purity	98%
Molecular Formula	C10H20B2O4
Linear Formula	(BO2C2H4C(CH3)2)2
Molecular Weight	225.89
Molar Refractivity	63.4

Pubchem ID	2734316
InChI Key	MDNDJMCSXOXBFZ-UHFFFAOYSA-N
MDL Number	MFCD02093062

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	1
Topological Polar Surface Area	36.92 Å²
Heavy Atom Count	16
Aromatic Heavy Atoms Number	0
Fraction Csp3	1.0
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	2.18
Log Po/w (WLOGP)	1.19
Log Po/w (MLOGP)	-0.21
Log Po/w (SILICOS-IT)	-0.36
Consensus Log Po/w	0.56
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	No
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-6.13 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	1.0
Synthetic Accessibility	3.42

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