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[ CAS No. 73346-79-9 ] {[proInfo.proName]}

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Chemical Structure| 73346-79-9
Chemical Structure| 73346-79-9
Structure of 73346-79-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 73346-79-9 ]

CAS No. :73346-79-9 MDL No. :MFCD11977847
Formula : C26H43LiO9 Boiling Point : -
Linear Structure Formula :- InChI Key :XFIKMPRBSORKQP-JATHGWPISA-M
M.W : 506.56 Pubchem ID :71311795
Synonyms :

Calculated chemistry of [ 73346-79-9 ]

Physicochemical Properties

Num. heavy atoms : 36
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.85
Num. rotatable bonds : 17
Num. H-bond acceptors : 9.0
Num. H-bond donors : 3.0
Molar Refractivity : 129.16
TPSA : 148.88 Ų

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) : -7.25 cm/s

Lipophilicity

Log Po/w (iLOGP) : -9.64
Log Po/w (XLOGP3) : 3.02
Log Po/w (WLOGP) : 1.26
Log Po/w (MLOGP) : 0.89
Log Po/w (SILICOS-IT) : 3.89
Consensus Log Po/w : -0.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.76
Solubility : 0.0878 mg/ml ; 0.000173 mol/l
Class : Soluble
Log S (Ali) : -5.81
Solubility : 0.000782 mg/ml ; 0.00000154 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.47
Solubility : 1.7 mg/ml ; 0.00337 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 6.3

Safety of [ 73346-79-9 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280 UN#:N/A
Hazard Statements:H317 Packing Group:N/A
GHS Pictogram:
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