Alternatived Products of [ 25216-74-4 ]
Product Details of [ 25216-74-4 ] CAS No. : 25216-74-4 MDL No. : MFCD01006618 Formula :
C11 H14 BrNO2 Boiling Point : No data available Linear Structure Formula : - InChI Key : VDFBCTSISJDKNW-UHFFFAOYSA-N M.W :
272.14
Pubchem ID : 2757254 Synonyms :
Calculated chemistry of [ 25216-74-4 ] Expand+ Physicochemical Properties Num. heavy atoms : 15 Num. arom. heavy atoms : 6 Fraction Csp3 : 0.36 Num. rotatable bonds : 4 Num. H-bond acceptors : 2.0 Num. H-bond donors : 1.0 Molar Refractivity : 64.39 TPSA : 38.33 Ų
Pharmacokinetics GI absorption : High BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : Yes CYP2C19 inhibitor : Yes CYP2C9 inhibitor : Yes CYP2D6 inhibitor : No CYP3A4 inhibitor : No Log Kp (skin permeation) : -5.31 cm/s
Lipophilicity Log Po/w (iLOGP) : 2.84 Log Po/w (XLOGP3) : 3.73 Log Po/w (WLOGP) : 3.61 Log Po/w (MLOGP) : 3.06 Log Po/w (SILICOS-IT) : 2.35 Consensus Log Po/w : 3.11
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 0.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -3.91 Solubility : 0.0335 mg/ml ; 0.000123 mol/l Class : Soluble Log S (Ali) : -4.23 Solubility : 0.0161 mg/ml ; 0.0000593 mol/l Class : Moderately soluble Log S (SILICOS-IT) : -4.2 Solubility : 0.0172 mg/ml ; 0.0000631 mol/l Class : Moderately soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 0.0 alert Leadlikeness : 1.0 Synthetic accessibility : 2.34