Home Cart 0 Sign in  

[ CAS No. 852475-26-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 852475-26-4
Chemical Structure| 852475-26-4
Structure of 852475-26-4 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 852475-26-4 ]

Related Doc. of [ 852475-26-4 ]

Alternatived Products of [ 852475-26-4 ]

Product Details of [ 852475-26-4 ]

CAS No. :852475-26-4 MDL No. :N/A
Formula : C17H15FN2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :QRDAPCMJAOQZSU-KQQUZDAGSA-N
M.W : 314.31 Pubchem ID :11381449
Synonyms :

Calculated chemistry of [ 852475-26-4 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.06
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 84.09
TPSA : 71.33 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 1.82
Log Po/w (WLOGP) : 2.78
Log Po/w (MLOGP) : 1.54
Log Po/w (SILICOS-IT) : 2.58
Consensus Log Po/w : 2.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.89
Solubility : 0.402 mg/ml ; 0.00128 mol/l
Class : Soluble
Log S (Ali) : -2.94
Solubility : 0.363 mg/ml ; 0.00115 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.5
Solubility : 0.0989 mg/ml ; 0.000315 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 3.17

Safety of [ 852475-26-4 ]

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