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[ CAS No. 1186486-62-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
Chemical Structure| 1186486-62-3
Chemical Structure| 1186486-62-3
Structure of 1186486-62-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1186486-62-3 ]

CAS No. :1186486-62-3 MDL No. :MFCD23105886
Formula : C31H36F6N6O2 Boiling Point : -
Linear Structure Formula :- InChI Key :IHIUGIVXARLYHP-UXNJHFGPSA-N
M.W : 638.65 Pubchem ID :49836058
Synonyms :
LY2484595

Calculated chemistry of [ 1186486-62-3 ]

Physicochemical Properties

Num. heavy atoms : 45
Num. arom. heavy atoms : 17
Fraction Csp3 : 0.55
Num. rotatable bonds : 9
Num. H-bond acceptors : 11.0
Num. H-bond donors : 1.0
Molar Refractivity : 160.14
TPSA : 87.38 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -4.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.37
Log Po/w (XLOGP3) : 7.7
Log Po/w (WLOGP) : 8.55
Log Po/w (MLOGP) : 6.18
Log Po/w (SILICOS-IT) : 5.36
Consensus Log Po/w : 6.43

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -8.34
Solubility : 0.00000295 mg/ml ; 0.0000000046 mol/l
Class : Poorly soluble
Log S (Ali) : -9.38
Solubility : 0.000000268 mg/ml ; 0.0000000004 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -8.22
Solubility : 0.00000386 mg/ml ; 0.000000006 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.31

Safety of [ 1186486-62-3 ]

Signal Word:Danger Class:4.1
Precautionary Statements:P240-P210-P241-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:1325
Hazard Statements:H228-H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1186486-62-3 ]

* 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 [ 1186486-62-3 ]
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