Benzyl 2-bromoethyl ether

Name: Benzyl 2-bromoethyl ether
SKU: PI1462379
Rating: 5 (1 reviews)

Catalog NumberPI1462379

CAS Number1462-37-9

CategoryGenitourinary Agents Intermediates

Product Details

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

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Other Identifiers

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

Computed Properties

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

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