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[ CAS No. 300-92-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 300-92-5
Chemical Structure| 300-92-5
Structure of 300-92-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 300-92-5 ]

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Product Details of [ 300-92-5 ]

CAS No. :300-92-5 MDL No. :MFCD00055007
Formula : C36H71AlO5 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZFBYSSBIQZUBBE-UHFFFAOYSA-L
M.W : 610.93 Pubchem ID :16682938
Synonyms :

Calculated chemistry of [ 300-92-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 41
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.94
Num. rotatable bonds : 32
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 176.94
TPSA : 80.26 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : 1.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 16.41
Log Po/w (WLOGP) : 10.0
Log Po/w (MLOGP) : 7.28
Log Po/w (SILICOS-IT) : 6.13
Consensus Log Po/w : 7.96

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -11.75
Solubility : 0.0000000011 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -18.27
Solubility : 3.22e-16 mg/ml ; 5.43e-19 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -6.11
Solubility : 0.000458 mg/ml ; 0.000000771 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.85

Safety of [ 300-92-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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