Home Cart 0 Sign in  

[ CAS No. 870483-87-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 870483-87-7
Chemical Structure| 870483-87-7
Structure of 870483-87-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 870483-87-7 ]

Related Doc. of [ 870483-87-7 ]

Alternatived Products of [ 870483-87-7 ]

Product Details of [ 870483-87-7 ]

CAS No. :870483-87-7 MDL No. :MFCD12024701
Formula : C20H22N4O3 Boiling Point : -
Linear Structure Formula :- InChI Key :MYQAUKPBNJWPIE-UHFFFAOYSA-N
M.W : 366.41 Pubchem ID :11617559
Synonyms :

Calculated chemistry of [ 870483-87-7 ]

Physicochemical Properties

Num. heavy atoms : 27
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.2
Num. rotatable bonds : 7
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 104.26
TPSA : 105.51 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.75
Log Po/w (XLOGP3) : 2.63
Log Po/w (WLOGP) : 2.69
Log Po/w (MLOGP) : 1.62
Log Po/w (SILICOS-IT) : 2.88
Consensus Log Po/w : 2.51

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.8
Solubility : 0.0581 mg/ml ; 0.000158 mol/l
Class : Soluble
Log S (Ali) : -4.5
Solubility : 0.0117 mg/ml ; 0.0000319 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -6.72
Solubility : 0.0000693 mg/ml ; 0.000000189 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.01

Safety of [ 870483-87-7 ]

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