Alternatived Products of [ 64113-86-6 ]
Product Details of [ 64113-86-6 ] CAS No. : 64113-86-6 MDL No. : MFCD00267507 Formula :
C8 H6 N2 O2 Boiling Point : - Linear Structure Formula : - InChI Key : USQNWFKYQFQGLB-UHFFFAOYSA-N M.W :
162.15
Pubchem ID : 560743 Synonyms :
Calculated chemistry of [ 64113-86-6 ] Expand+ Physicochemical Properties Num. heavy atoms : 12 Num. arom. heavy atoms : 6 Fraction Csp3 : 0.12 Num. rotatable bonds : 1 Num. H-bond acceptors : 3.0 Num. H-bond donors : 0.0 Molar Refractivity : 44.94 TPSA : 69.61 Ų
Pharmacokinetics GI absorption : High BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : Yes CYP2C19 inhibitor : No CYP2C9 inhibitor : No CYP2D6 inhibitor : No CYP3A4 inhibitor : No Log Kp (skin permeation) : -5.99 cm/s
Lipophilicity Log Po/w (iLOGP) : 1.22 Log Po/w (XLOGP3) : 1.83 Log Po/w (WLOGP) : 1.77 Log Po/w (MLOGP) : 0.59 Log Po/w (SILICOS-IT) : 0.1 Consensus Log Po/w : 1.1
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 1.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -2.3 Solubility : 0.809 mg/ml ; 0.00499 mol/l Class : Soluble Log S (Ali) : -2.91 Solubility : 0.199 mg/ml ; 0.00122 mol/l Class : Soluble Log S (SILICOS-IT) : -2.24 Solubility : 0.931 mg/ml ; 0.00574 mol/l Class : Soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 2.0 alert Leadlikeness : 1.0 Synthetic accessibility : 1.93
Safety of [ 64113-86-6 ] Signal Word: Warning Class: N/A Precautionary Statements: P280-P305+P351+P338 UN#: N/A Hazard Statements: H302 Packing Group: N/A GHS Pictogram:
Application In Synthesis of [ 64113-86-6 ] * 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 [ 64113-86-6 ]
1 [ 64113-86-6 ] [ 63089-50-9 ]