Alternatived Products of [ 14862-52-3 ]
Product Details of [ 14862-52-3 ] CAS No. : 14862-52-3 MDL No. : MFCD00070765 Formula :
C6 H3 Br2 Cl
Boiling Point : - Linear Structure Formula : - InChI Key : FNKCOUREFBNNHG-UHFFFAOYSA-N M.W :
270.35
Pubchem ID : 84676 Synonyms :
Calculated chemistry of [ 14862-52-3 ] Expand+ Physicochemical Properties Num. heavy atoms : 9 Num. arom. heavy atoms : 6 Fraction Csp3 : 0.0 Num. rotatable bonds : 0 Num. H-bond acceptors : 0.0 Num. H-bond donors : 0.0 Molar Refractivity : 46.85 TPSA : 0.0 Ų
Pharmacokinetics GI absorption : Low BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : Yes CYP2C19 inhibitor : No CYP2C9 inhibitor : Yes CYP2D6 inhibitor : No CYP3A4 inhibitor : No Log Kp (skin permeation) : -4.79 cm/s
Lipophilicity Log Po/w (iLOGP) : 2.57 Log Po/w (XLOGP3) : 4.45 Log Po/w (WLOGP) : 3.87 Log Po/w (MLOGP) : 4.37 Log Po/w (SILICOS-IT) : 3.86 Consensus Log Po/w : 3.82
Druglikeness Lipinski : 1.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 1.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -4.81 Solubility : 0.00416 mg/ml ; 0.0000154 mol/l Class : Moderately soluble Log S (Ali) : -4.17 Solubility : 0.0183 mg/ml ; 0.0000678 mol/l Class : Moderately soluble Log S (SILICOS-IT) : -4.72 Solubility : 0.00518 mg/ml ; 0.0000191 mol/l Class : Moderately soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 0.0 alert Leadlikeness : 1.0 Synthetic accessibility : 1.8
Application In Synthesis of [ 14862-52-3 ] * All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Downstream synthetic route of [ 14862-52-3 ]
1 [ 14862-52-3 ] [ 1036378-83-2 ]