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[ CAS No. 143527-70-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 143527-70-2
Chemical Structure| 143527-70-2
Structure of 143527-70-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 143527-70-2 ]

CAS No. :143527-70-2 MDL No. :MFCD09263630
Formula : C17H23NO5 Boiling Point : -
Linear Structure Formula :- InChI Key :VAHXMEZCPGHDBJ-QWHCGFSZSA-N
M.W : 321.37 Pubchem ID :10969286
Synonyms :

Calculated chemistry of [ 143527-70-2 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.53
Num. rotatable bonds : 5
Num. H-bond acceptors : 5.0
Num. H-bond donors : 1.0
Molar Refractivity : 88.78
TPSA : 76.07 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.41 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.66
Log Po/w (XLOGP3) : 2.61
Log Po/w (WLOGP) : 2.48
Log Po/w (MLOGP) : 1.91
Log Po/w (SILICOS-IT) : 1.54
Consensus Log Po/w : 2.24

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -3.34
Solubility : 0.147 mg/ml ; 0.000457 mol/l
Class : Soluble
Log S (Ali) : -3.86
Solubility : 0.0447 mg/ml ; 0.000139 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.86
Solubility : 0.446 mg/ml ; 0.00139 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.69

Safety of [ 143527-70-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
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