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[ CAS No. 19074-24-9 ] {[proInfo.proName]}

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Chemical Structure| 19074-24-9
Chemical Structure| 19074-24-9
Structure of 19074-24-9 * Storage: {[proInfo.prStorage]}

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Product Details of [ 19074-24-9 ]

CAS No. :19074-24-9 MDL No. :MFCD00144216
Formula : C28H54O4 Boiling Point : -
Linear Structure Formula :- InChI Key :MTPSFISGWJGUGN-UHFFFAOYSA-N
M.W : 454.73 Pubchem ID :29401
Synonyms :

Calculated chemistry of [ 19074-24-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 32
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.93
Num. rotatable bonds : 25
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 139.28
TPSA : 52.6 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -2.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : 6.79
Log Po/w (XLOGP3) : 9.72
Log Po/w (WLOGP) : 8.41
Log Po/w (MLOGP) : 5.79
Log Po/w (SILICOS-IT) : 9.5
Consensus Log Po/w : 8.04

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -7.13
Solubility : 0.0000335 mg/ml ; 0.0000000736 mol/l
Class : Poorly soluble
Log S (Ali) : -10.74
Solubility : 0.0000000082 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -8.87
Solubility : 0.000000613 mg/ml ; 0.0000000014 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.73

Safety of [ 19074-24-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
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