Home Cart 0 Sign in  

[ CAS No. 914295-16-2 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 914295-16-2
Chemical Structure| 914295-16-2
Structure of 914295-16-2 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 914295-16-2 ]

Related Doc. of [ 914295-16-2 ]

Alternatived Products of [ 914295-16-2 ]

Product Details of [ 914295-16-2 ]

CAS No. :914295-16-2 MDL No. :MFCD19443649
Formula : C23H36FN6Na2O15P Boiling Point : -
Linear Structure Formula :- InChI Key :ZQGJCHHKJNSPMS-UHFFFAOYSA-L
M.W : 732.51 Pubchem ID :24828759
Synonyms :
R788 disodium hexahydrate;Tavalisse;Tamatinib Fosdium hexahydrate
Chemical Name :Sodium (6-((5-fluoro-2-((3,4,5-trimethoxyphenyl)amino)pyrimidin-4-yl)amino)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)methyl phosphate hexahydrate

Calculated chemistry of [ 914295-16-2 ]

Physicochemical Properties

Num. heavy atoms : 48
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.3
Num. rotatable bonds : 10
Num. H-bond acceptors : 19.0
Num. H-bond donors : 8.0
Molar Refractivity : 157.01
TPSA : 257.57 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -11.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : -32.3
Log Po/w (XLOGP3) : -1.24
Log Po/w (WLOGP) : 3.62
Log Po/w (MLOGP) : -4.0
Log Po/w (SILICOS-IT) : 0.65
Consensus Log Po/w : -6.65

Druglikeness

Lipinski : 3.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.444 mg/ml ; 0.000605 mol/l
Class : Soluble
Log S (Ali) : -3.67
Solubility : 0.155 mg/ml ; 0.000212 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.1
Solubility : 0.000586 mg/ml ; 0.0000008 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 5.25

Safety of [ 914295-16-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:
Same Skeleton Products
Historical Records