Alternatived Products of [ 31752-99-5 ]
Product Details of [ 31752-99-5 ] CAS No. : 31752-99-5 MDL No. : MFCD00078077 Formula :
C21 H20 O5 Boiling Point : - Linear Structure Formula : - InChI Key : SZJVIFMPKWMGSX-AKHDSKFASA-N M.W :
352.38
Pubchem ID : 2724295 Synonyms :
Calculated chemistry of [ 31752-99-5 ] Expand+ Physicochemical Properties Num. heavy atoms : 26 Num. arom. heavy atoms : 12 Fraction Csp3 : 0.33 Num. rotatable bonds : 5 Num. H-bond acceptors : 5.0 Num. H-bond donors : 1.0 Molar Refractivity : 95.03 TPSA : 72.83 Ų
Pharmacokinetics GI absorption : High BBB permeant : Yes P-gp substrate : No CYP1A2 inhibitor : No CYP2C19 inhibitor : No CYP2C9 inhibitor : Yes CYP2D6 inhibitor : Yes CYP3A4 inhibitor : Yes Log Kp (skin permeation) : -6.26 cm/s
Lipophilicity Log Po/w (iLOGP) : 2.78 Log Po/w (XLOGP3) : 3.09 Log Po/w (WLOGP) : 2.82 Log Po/w (MLOGP) : 2.86 Log Po/w (SILICOS-IT) : 3.21 Consensus Log Po/w : 2.95
Druglikeness Lipinski : 0.0 Ghose : None Veber : 0.0 Egan : 0.0 Muegge : 0.0 Bioavailability Score : 0.55
Water Solubility Log S (ESOL) : -3.98 Solubility : 0.0366 mg/ml ; 0.000104 mol/l Class : Soluble Log S (Ali) : -4.29 Solubility : 0.0182 mg/ml ; 0.0000516 mol/l Class : Moderately soluble Log S (SILICOS-IT) : -5.04 Solubility : 0.00323 mg/ml ; 0.00000916 mol/l Class : Moderately soluble
Medicinal Chemistry PAINS : 0.0 alert Brenk : 1.0 alert Leadlikeness : 1.0 Synthetic accessibility : 3.96
Application In Synthesis of [ 31752-99-5 ] * 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 [ 31752-99-5 ]
1 [ 31752-99-5 ] [ 124583-86-4 ] [ 137514-76-2 ] 2 [ 31752-99-5 ] [ 65025-95-8 ] 3 [ 31752-99-5 ] [ 58707-50-9 ] 4 [ 31752-99-5 ] [ 84172-57-6 ] 5 [ 31752-99-5 ] [ 65025-96-9 ] 6 [ 31752-99-5 ] [ 58707-52-1 ] 7 [ 31752-99-5 ] [ 67788-45-8 ] 8 [ 31752-99-5 ] [ 59122-48-4 ] 9 [ 31752-99-5 ] [ 58682-80-7 ] 10 [ 31752-99-5 ] 7-((1R,2S,3R,5S)-5-Acetoxy-3-hydroxy-2-hydroxymethyl-cyclopentyl)-heptanoic acid methyl ester [ No CAS ] 11 [ 31752-99-5 ] [ 62137-77-3 ] 12 [ 31752-99-5 ] [ 61302-47-4 ] 13 [ 31752-99-5 ] [ 61302-48-5 ] 14 [ 31752-99-5 ] 7-[(1R,2R,3R,5S)-5-Hydroxy-2-((E)-4-hydroxy-4-methyl-oct-1-enyl)-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-heptanoic acid methyl ester [ No CAS ] 15 [ 31752-99-5 ] 7-[(1R,2R,3R)-2-((E)-4-Hydroxy-4-methyl-oct-1-enyl)-5-oxo-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-heptanoic acid methyl ester [ No CAS ] 16 [ 31752-99-5 ] [ 197523-79-8 ] 17 [ 31752-99-5 ] 7-[(1R,2R,3R,5S)-5-Acetoxy-2-((E)-4-hydroxy-4-methyl-oct-1-enyl)-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-heptanoic acid methyl ester [ No CAS ] 18 [ 31752-99-5 ] 7-[(1R,2R,3R,5S)-5-Acetoxy-2-((E)-4-hydroxy-4-methyl-oct-1-enyl)-3-(tetrahydro-pyran-2-yloxy)-cyclopentyl]-heptanoic acid butyl ester [ No CAS ]