2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene

Name: 2-((2-((6-Bromohexyl)oxy)ethoxy)methyl)-1,3-dichlorobenzene
SKU: PI503070573
Rating: 5 (1 reviews)

Cat. No.: PI503070573

Product Details Other Identifiers Computed Properties

CAS	503070-57-3
Purity	95%
Molecular Formula	C15H21BrCl2O2
Molecular Weight	384.14
Molar Refractivity	89.92

Pubchem ID	66844903
InChI Key	AKLUHFHHUBIDQA-UHFFFAOYSA-N
MDL Number	MFCD21337362

Hydrogen Bond Donor Count	0.0
Hydrogen Bond Acceptor Count	2.0
Rotatable Bond Count	11
Topological Polar Surface Area	18.46 Å²
Heavy Atom Count	20
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.6
Log Po/w (iLOGP)	4.44
Log Po/w (XLOGP3)	4.87
Log Po/w (WLOGP)	5.33
Log Po/w (MLOGP)	4.31
Log Po/w (SILICOS-IT)	6.2
Consensus Log Po/w	5.03
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	Yes
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	Yes
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.19 cm/s
Lipinski	1.0
Ghose	None
Veber	1.0
Egan	0.0
Muegge	0.0
Bioavailability Score	0.55
PAINS	0.0 alert
Brenk	1.0 alert
Leadlikeness	3.0
Synthetic Accessibility	3.01

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