Home Cart 0 Sign in  

[ CAS No. 882663-88-9 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 882663-88-9
Chemical Structure| 882663-88-9
Structure of 882663-88-9 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 882663-88-9 ]

Related Doc. of [ 882663-88-9 ]

Alternatived Products of [ 882663-88-9 ]

Product Details of [ 882663-88-9 ]

CAS No. :882663-88-9 MDL No. :MFCD09970318
Formula : C29H28F3N5O2 Boiling Point : -
Linear Structure Formula :- InChI Key :DVRSTRMZTAPMKO-UHFFFAOYSA-N
M.W : 535.56 Pubchem ID :16086114
Synonyms :

Calculated chemistry of [ 882663-88-9 ]

Physicochemical Properties

Num. heavy atoms : 39
Num. arom. heavy atoms : 22
Fraction Csp3 : 0.28
Num. rotatable bonds : 9
Num. H-bond acceptors : 8.0
Num. H-bond donors : 2.0
Molar Refractivity : 148.28
TPSA : 79.38 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.45
Log Po/w (XLOGP3) : 5.23
Log Po/w (WLOGP) : 6.01
Log Po/w (MLOGP) : 3.53
Log Po/w (SILICOS-IT) : 5.57
Consensus Log Po/w : 4.96

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.28
Solubility : 0.000282 mg/ml ; 0.000000526 mol/l
Class : Poorly soluble
Log S (Ali) : -6.65
Solubility : 0.000121 mg/ml ; 0.000000226 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.46
Solubility : 0.0000000184 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.59

Safety of [ 882663-88-9 ]

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