Home Cart 0 Sign in  

[ CAS No. 874819-74-6 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 874819-74-6
Chemical Structure| 874819-74-6
Structure of 874819-74-6 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 874819-74-6 ]

Related Doc. of [ 874819-74-6 ]

Alternatived Products of [ 874819-74-6 ]

Product Details of [ 874819-74-6 ]

CAS No. :874819-74-6 MDL No. :MFCD25372034
Formula : C22H28FN4O6P Boiling Point : -
Linear Structure Formula :- InChI Key :AOORBROPMMRREB-HBPAQXCTSA-N
M.W : 494.45 Pubchem ID :16034840
Synonyms :
SU11654 phosphate;PHA 291639E phosphate;SU11654;Palladia

Calculated chemistry of [ 874819-74-6 ]

Physicochemical Properties

Num. heavy atoms : 34
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.36
Num. rotatable bonds : 6
Num. H-bond acceptors : 8.0
Num. H-bond donors : 6.0
Molar Refractivity : 132.37
TPSA : 164.8 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) : -10.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.27
Log Po/w (XLOGP3) : -1.98
Log Po/w (WLOGP) : 1.52
Log Po/w (MLOGP) : 0.48
Log Po/w (SILICOS-IT) : 4.62
Consensus Log Po/w : 1.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.5
Solubility : 15.6 mg/ml ; 0.0315 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 54.5 mg/ml ; 0.11 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -6.88
Solubility : 0.000065 mg/ml ; 0.000000132 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.83

Safety of [ 874819-74-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records

Similar Product of
[ 874819-74-6 ]

Chemical Structure| 356068-94-5

A135686[ 356068-94-5 ]

(Z)-5-((5-Fluoro-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-N-(2-(pyrrolidin-1-yl)ethyl)-1H-pyrrole-3-carboxamide

Reason: Free-salt