Benzyl 2-bromoethyl ether

Cat. No.: PI1462379

Product Details Other Identifiers Computed Properties

CAS	1462-37-9
Synonyms	((2-Bromoethoxy)methyl)benzene
Purity	97%
Molecular Formula	C9H11BrO
Molecular Weight	215.09
Molar Refractivity	49.98

Pubchem ID	73833
InChI Key	FWOHDAGPWDEWIB-UHFFFAOYSA-N
MDL Number	MFCD01321307

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	4
Topological Polar Surface Area	9.23 Å²
Heavy Atom Count	11
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.33
Log Po/w (iLOGP)	2.39
Log Po/w (XLOGP3)	2.55
Log Po/w (WLOGP)	2.45
Log Po/w (MLOGP)	2.64
Log Po/w (SILICOS-IT)	3.03
Consensus Log Po/w	2.61
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	No
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.8 cm/s
Lipinski	0.0
Ghose	None
Veber	0.0
Egan	0.0
Muegge	1.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	1.0
Synthetic Accessibility	1.76

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