Home Cart 0 Sign in  

[ CAS No. 1300746-79-5 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1300746-79-5
Chemical Structure| 1300746-79-5
Structure of 1300746-79-5 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1300746-79-5 ]

Related Doc. of [ 1300746-79-5 ]

Alternatived Products of [ 1300746-79-5 ]

Product Details of [ 1300746-79-5 ]

CAS No. :1300746-79-5 MDL No. :MFCD19690901
Formula : C13H8CuF3N2 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 312.76 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 1300746-79-5 ]

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 14
Fraction Csp3 : 0.08
Num. rotatable bonds : 0
Num. H-bond acceptors : 5.0
Num. H-bond donors : 0.0
Molar Refractivity : 63.06
TPSA : 25.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.07 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 3.01
Log Po/w (WLOGP) : 5.1
Log Po/w (MLOGP) : 2.53
Log Po/w (SILICOS-IT) : 2.99
Consensus Log Po/w : 2.73

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.22
Solubility : 0.0188 mg/ml ; 0.0000602 mol/l
Class : Moderately soluble
Log S (Ali) : -3.22
Solubility : 0.19 mg/ml ; 0.000608 mol/l
Class : Soluble
Log S (SILICOS-IT) : -5.0
Solubility : 0.00311 mg/ml ; 0.00000995 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.65

Safety of [ 1300746-79-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302+H312-H315-H319 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records