Alternatived Products of [ 26059-40-5 ]
Product Details of [ 26059-40-5 ] CAS No. : 26059-40-5 MDL No. : MFCD12031769 Formula :
C8 H9 IO
Boiling Point : - Linear Structure Formula : - InChI Key : WUQBSMKQSLCUFC-UHFFFAOYSA-N M.W :
248.06
Pubchem ID : 11064750 Synonyms :
Calculated chemistry of [ 26059-40-5 ] Expand+ Physicochemical Properties Num. heavy atoms : 10 Num. arom. heavy atoms : 6 Fraction Csp3 : 0.25 Num. rotatable bonds : 2 Num. H-bond acceptors : 1.0 Num. H-bond donors : 1.0 Molar Refractivity : 50.09 TPSA : 20.23 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) : -6.29 cm/s
Lipophilicity Log Po/w (iLOGP) : 1.96 Log Po/w (XLOGP3) : 2.15 Log Po/w (WLOGP) : 1.83 Log Po/w (MLOGP) : 2.76 Log Po/w (SILICOS-IT) : 2.97 Consensus Log Po/w : 2.33
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 1.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -3.04 Solubility : 0.224 mg/ml ; 0.000903 mol/l Class : Soluble Log S (Ali) : -2.21 Solubility : 1.54 mg/ml ; 0.00621 mol/l Class : Soluble Log S (SILICOS-IT) : -3.59 Solubility : 0.0642 mg/ml ; 0.000259 mol/l Class : Soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 1.0 alert Leadlikeness : 1.0 Synthetic accessibility : 1.54
Application In Synthesis of [ 26059-40-5 ] * 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 [ 26059-40-5 ]
1 [ 15121-84-3 ] [ 26059-40-5 ]