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[ CAS No. 201473-83-8 ] {[proInfo.proName]}

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Chemical Structure| 201473-83-8
Chemical Structure| 201473-83-8
Structure of 201473-83-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 201473-83-8 ]

CAS No. :201473-83-8 MDL No. :MFCD00237004
Formula : C34H30N2O6 Boiling Point : -
Linear Structure Formula :- InChI Key :ALZDIZDLDRWFAC-HKBQPEDESA-N
M.W : 562.61 Pubchem ID :46737279
Synonyms :

Calculated chemistry of [ 201473-83-8 ]

Physicochemical Properties

Num. heavy atoms : 42
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.21
Num. rotatable bonds : 13
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 156.84
TPSA : 113.96 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.56
Log Po/w (XLOGP3) : 5.88
Log Po/w (WLOGP) : 5.91
Log Po/w (MLOGP) : 3.91
Log Po/w (SILICOS-IT) : 5.19
Consensus Log Po/w : 4.89

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -6.6
Solubility : 0.000142 mg/ml ; 0.000000253 mol/l
Class : Poorly soluble
Log S (Ali) : -8.05
Solubility : 0.00000506 mg/ml ; 0.000000009 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.3
Solubility : 0.0000000281 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.0

Safety of [ 201473-83-8 ]

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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