Alternatived Products of [ 408523-59-1 ]
Product Details of [ 408523-59-1 ] CAS No. : 408523-59-1 MDL No. : MFCD08234680 Formula :
C9 H4 Cl2 N2 O2 Boiling Point : No data available Linear Structure Formula : - InChI Key : ZHHMYLFTTXCPRJ-UHFFFAOYSA-N M.W :
243.05
Pubchem ID : 53422878 Synonyms :
Calculated chemistry of [ 408523-59-1 ] Expand+ Physicochemical Properties Num. heavy atoms : 15 Num. arom. heavy atoms : 10 Fraction Csp3 : 0.0 Num. rotatable bonds : 1 Num. H-bond acceptors : 3.0 Num. H-bond donors : 0.0 Molar Refractivity : 60.59 TPSA : 58.71 Ų
Pharmacokinetics GI absorption : High BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : Yes CYP2C19 inhibitor : Yes CYP2C9 inhibitor : No CYP2D6 inhibitor : No CYP3A4 inhibitor : No Log Kp (skin permeation) : -5.22 cm/s
Lipophilicity Log Po/w (iLOGP) : 1.93 Log Po/w (XLOGP3) : 3.61 Log Po/w (WLOGP) : 3.45 Log Po/w (MLOGP) : 2.6 Log Po/w (SILICOS-IT) : 1.5 Consensus Log Po/w : 2.62
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 0.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -4.05 Solubility : 0.0217 mg/ml ; 0.0000894 mol/l Class : Moderately soluble Log S (Ali) : -4.53 Solubility : 0.00717 mg/ml ; 0.0000295 mol/l Class : Moderately soluble Log S (SILICOS-IT) : -4.32 Solubility : 0.0116 mg/ml ; 0.0000479 mol/l Class : Moderately soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 3.0 alert Leadlikeness : 2.0 Synthetic accessibility : 1.99
Safety of [ 408523-59-1 ] Signal Word: Warning Class: Precautionary Statements: P280-P305+P351+P338 UN#: Hazard Statements: H302 Packing Group: GHS Pictogram: