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[ CAS No. 89483-09-0 ] {[proInfo.proName]}

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Chemical Structure| 89483-09-0
Chemical Structure| 89483-09-0
Structure of 89483-09-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 89483-09-0 ]

CAS No. :89483-09-0 MDL No. :MFCD02259470
Formula : C23H42N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :MQINYDUVLDJIAC-NIFFTEIASA-N
M.W : 410.59 Pubchem ID :2756014
Synonyms :

Calculated chemistry of [ 89483-09-0 ]

Physicochemical Properties

Num. heavy atoms : 29
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.91
Num. rotatable bonds : 9
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 117.53
TPSA : 87.66 Ų

Pharmacokinetics

GI absorption : High
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) : -6.55 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.06
Log Po/w (XLOGP3) : 3.17
Log Po/w (WLOGP) : 4.94
Log Po/w (MLOGP) : 3.14
Log Po/w (SILICOS-IT) : 2.99
Consensus Log Po/w : 3.46

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.79
Solubility : 0.0668 mg/ml ; 0.000163 mol/l
Class : Soluble
Log S (Ali) : -4.68
Solubility : 0.00855 mg/ml ; 0.0000208 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.8
Solubility : 0.645 mg/ml ; 0.00157 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.1

Safety of [ 89483-09-0 ]

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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