Home Cart 0 Sign in  
X

[ CAS No. 1342979-38-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1342979-38-7
Chemical Structure| 1342979-38-7
Chemical Structure| 1342979-38-7
Structure of 1342979-38-7 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 1342979-38-7 ]

Related Doc. of [ 1342979-38-7 ]

Alternatived Products of [ 1342979-38-7 ]

Product Details of [ 1342979-38-7 ]

CAS No. :1342979-38-7 MDL No. :MFCD16861563
Formula : C11H9FN2O Boiling Point : -
Linear Structure Formula :- InChI Key :DCVFLIPBIXFHOZ-UHFFFAOYSA-N
M.W : 204.20 Pubchem ID :62727638
Synonyms :

Calculated chemistry of [ 1342979-38-7 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.09
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 53.32
TPSA : 34.89 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.76
Log Po/w (XLOGP3) : 1.39
Log Po/w (WLOGP) : 2.3
Log Po/w (MLOGP) : 1.51
Log Po/w (SILICOS-IT) : 2.39
Consensus Log Po/w : 1.87

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.33
Solubility : 0.963 mg/ml ; 0.00472 mol/l
Class : Soluble
Log S (Ali) : -1.73
Solubility : 3.83 mg/ml ; 0.0188 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -3.56
Solubility : 0.0556 mg/ml ; 0.000272 mol/l
Class : Soluble

Medicinal Chemistry

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

Safety of [ 1342979-38-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records