Home Cart 0 Sign in  

[ CAS No. 2411406-15-8 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2411406-15-8
Chemical Structure| 2411406-15-8
Structure of 2411406-15-8 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 2411406-15-8 ]

Related Doc. of [ 2411406-15-8 ]

Alternatived Products of [ 2411406-15-8 ]

Product Details of [ 2411406-15-8 ]

CAS No. :2411406-15-8 MDL No. :
Formula : C36H30N4 Boiling Point : -
Linear Structure Formula :- InChI Key :JLNAABCOOXPFPR-UHFFFAOYSA-N
M.W : 518.65 Pubchem ID :154729720
Synonyms :

Calculated chemistry of [ 2411406-15-8 ]

Physicochemical Properties

Num. heavy atoms : 40
Num. arom. heavy atoms : 36
Fraction Csp3 : 0.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 0.0
Num. H-bond donors : 4.0
Molar Refractivity : 171.24
TPSA : 104.08 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.31
Log Po/w (XLOGP3) : 7.33
Log Po/w (WLOGP) : 8.38
Log Po/w (MLOGP) : 5.52
Log Po/w (SILICOS-IT) : 6.82
Consensus Log Po/w : 6.27

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 1.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -8.01
Solubility : 0.00000507 mg/ml ; 0.0000000098 mol/l
Class : Poorly soluble
Log S (Ali) : -9.34
Solubility : 0.000000235 mg/ml ; 0.0000000005 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -13.35
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.9

Safety of [ 2411406-15-8 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Same Skeleton Products
Historical Records