4,4,5,5-Tetramethyl-2-(4-((tetrahydro-2H-pyran-2-yl)oxy)phenyl)-1,3,2-dioxaborolane

Cat. No.: PI889865387

Product Details Other Identifiers Computed Properties

CAS	889865-38-7
Purity	97%
Molecular Formula	C17H25BO4
Molecular Weight	304.19
Molar Refractivity	87.61

Pubchem ID	58005653
InChI Key	ZIKLUMIQYINQLY-UHFFFAOYSA-N
MDL Number	MFCD16294419

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	4.0
Rotatable Bond Count	3
Topological Polar Surface Area	36.92 Å²
Heavy Atom Count	22
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.65
Log Po/w (iLOGP)	0.0
Log Po/w (XLOGP3)	3.74
Log Po/w (WLOGP)	2.89
Log Po/w (MLOGP)	1.97
Log Po/w (SILICOS-IT)	2.45
Consensus Log Po/w	2.21
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	Yes
CYP1A2Inhibitor	No
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	Yes
Log Kp (Skin Permeation)	-5.5 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	4.05

* Our products are for research use only.

Get in Touch

We’re glad to help you with your products and services demands. For any inquiry, question or recommendation, please send an email to or fill out the following form.

Name *

Phone

Email *

Address *

Products & Service of Interest *

Project Description

Verification Code *