2,4-Dibromophenol

Cat. No.: PI615587

Product Details Other Identifiers Computed Properties

CAS	615-58-7
Purity	98%
Molecular Formula	C6H4Br2O
Molecular Weight	251.90
Molar Refractivity	43.87

Pubchem ID	12005
InChI Key	FAXWFCTVSHEODL-UHFFFAOYSA-N
MDL Number	MFCD00002149

Hydrogen Bond Donor Count	1.0
Hydrogen Bond Acceptor Count	1.0
Rotatable Bond Count	0
Topological Polar Surface Area	20.23 Å²
Heavy Atom Count	9
Aromatic Heavy Atoms Number	6
Fraction Csp3	0.0
Log Po/w (iLOGP)	2.17
Log Po/w (XLOGP3)	3.22
Log Po/w (WLOGP)	2.92
Log Po/w (MLOGP)	2.99
Log Po/w (SILICOS-IT)	2.74
Consensus Log Po/w	2.81
GI Absorption	High
BBB Permeant	Yes
P-gp Substrate	No
CYP1A2Inhibitor	Yes
CYP2C19Inhibitor	No
CYP2C9Inhibitor	Yes
CYP2D6Inhibitor	No
CYP3A4Inhibitor	No
Log Kp (Skin Permeation)	-5.55 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	0.0 alert
Leadlikeness	0.0
Synthetic Accessibility	1.35

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