Home Cart 0 Sign in  

[ CAS No. 838818-26-1 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 838818-26-1
Chemical Structure| 838818-26-1
Structure of 838818-26-1 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 838818-26-1 ]

Related Doc. of [ 838818-26-1 ]

Alternatived Products of [ 838818-26-1 ]

Product Details of [ 838818-26-1 ]

CAS No. :838818-26-1 MDL No. :MFCD05885187
Formula : C29H23N5O3S Boiling Point : -
Linear Structure Formula :- InChI Key :RNUXIZKXJOGYQP-UHFFFAOYSA-N
M.W : 521.59 Pubchem ID :2984337
Synonyms :
Tankyrase 1/2 Inhibitor V

Calculated chemistry of [ 838818-26-1 ]

Physicochemical Properties

Num. heavy atoms : 38
Num. arom. heavy atoms : 30
Fraction Csp3 : 0.14
Num. rotatable bonds : 8
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 149.93
TPSA : 117.2 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.09 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.1
Log Po/w (XLOGP3) : 4.77
Log Po/w (WLOGP) : 4.79
Log Po/w (MLOGP) : 3.84
Log Po/w (SILICOS-IT) : 5.01
Consensus Log Po/w : 4.5

Druglikeness

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

Water Solubility

Log S (ESOL) : -6.14
Solubility : 0.000382 mg/ml ; 0.000000733 mol/l
Class : Poorly soluble
Log S (Ali) : -6.96
Solubility : 0.0000569 mg/ml ; 0.000000109 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -10.01
Solubility : 0.0000000511 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 3.83

Safety of [ 838818-26-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records