1,2-Dibromo-4,5-dimethoxybenzene

1,2-Dibromo-4,5-dimethoxybenzene

Cat. No.: PI37895731

Product Details Other Identifiers Computed Properties
CAS 37895-73-1
Purity 95%
Molecular Formula C8H8Br2O2
Molecular Weight 295.96
Molar Refractivity 54.83
Pubchem ID 2758033
InChI Key ZYCLQXMMFJREPJ-UHFFFAOYSA-N
MDL Number MFCD00014894
Hydrogen Bond Donor Count 0.0
Hydrogen Bond Acceptor Count 2.0
Rotatable Bond Count 2
Topological Polar Surface Area 18.46 Ų
Heavy Atom Count 12
Aromatic Heavy Atoms Number 6
Fraction Csp3 0.25
Log Po/w (iLOGP) 2.74
Log Po/w (XLOGP3) 3.24
Log Po/w (WLOGP) 3.23
Log Po/w (MLOGP) 2.93
Log Po/w (SILICOS-IT) 3.17
Consensus Log Po/w 3.06
GI Absorption High
BBB Permeant Yes
P-gp Substrate No
CYP1A2Inhibitor Yes
CYP2C19Inhibitor No
CYP2C9Inhibitor Yes
CYP2D6Inhibitor No
CYP3A4Inhibitor No
Log Kp (Skin Permeation) -5.8 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 0.0 alert
Leadlikeness 0.0
Synthetic Accessibility 1.81

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