Home Cart 0 Sign in  

[ CAS No. 1306747-75-0 ]

{[proInfo.proName]} ,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 1306747-75-0
Chemical Structure| 1306747-75-0
Structure of 1306747-75-0 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Bulk Inquiry Add To Cart

Quality Control of [ 1306747-75-0 ]

Related Doc. of [ 1306747-75-0 ]

Alternatived Products of [ 1306747-75-0 ]

Product Details of [ 1306747-75-0 ]

CAS No. :1306747-75-0 MDL No. :N/A
Formula : C48H24F24O4P2 Boiling Point : -
Linear Structure Formula :- InChI Key :YWKWEHAWGUXVST-UHFFFAOYSA-N
M.W :1182.61 g/mol Pubchem ID :101794434
Synonyms :

Calculated chemistry of [ 1306747-75-0 ]

Physicochemical Properties

Num. heavy atoms : 78
Num. arom. heavy atoms : 36
Fraction Csp3 : 0.25
Num. rotatable bonds : 15
Num. H-bond acceptors : 28.0
Num. H-bond donors : 0.0
Molar Refractivity : 231.05
TPSA : 64.1 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 : Yes
Log Kp (skin permeation) : -2.56 cm/s

Lipophilicity

Log Po/w (iLOGP) : 6.53
Log Po/w (XLOGP3) : 15.43
Log Po/w (WLOGP) : 23.78
Log Po/w (MLOGP) : 10.03
Log Po/w (SILICOS-IT) : 19.5
Consensus Log Po/w : 15.05

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 4.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -16.24
Solubility : 0.0 mg/ml ; 5.69e-17 mol/l
Class : Insoluble
Log S (Ali) : -16.91
Solubility : 0.0 mg/ml ; 1.23e-17 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -21.07
Solubility : 1e-18 mg/ml ; 8.49e-22 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.33

Safety of [ 1306747-75-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1306747-75-0 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 1306747-75-0 ]

[ 1306747-75-0 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1306747-73-8 ]
  • [ 1306747-75-0 ]
YieldReaction ConditionsOperation in experiment
With trichlorosilane; triphenylphosphine In tetrahydrofuran; toluene at 100℃; Inert atmosphere;
Historical Records