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[ CAS No. 166881-43-2 ] {[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| 166881-43-2
Chemical Structure| 166881-43-2
Structure of 166881-43-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 166881-43-2 ]

CAS No. :166881-43-2 MDL No. :MFCD09952622
Formula : C27H27NO7 Boiling Point : -
Linear Structure Formula :- InChI Key :QRIVZMBKOCDKBU-UHFFFAOYSA-N
M.W : 477.51 Pubchem ID :56777269
Synonyms :

Calculated chemistry of [ 166881-43-2 ]

Physicochemical Properties

Num. heavy atoms : 35
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.26
Num. rotatable bonds : 11
Num. H-bond acceptors : 7.0
Num. H-bond donors : 1.0
Molar Refractivity : 129.23
TPSA : 94.53 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -6.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.33
Log Po/w (XLOGP3) : 4.24
Log Po/w (WLOGP) : 4.4
Log Po/w (MLOGP) : 2.44
Log Po/w (SILICOS-IT) : 4.01
Consensus Log Po/w : 3.68

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.13
Solubility : 0.00357 mg/ml ; 0.00000748 mol/l
Class : Moderately soluble
Log S (Ali) : -5.94
Solubility : 0.000553 mg/ml ; 0.00000116 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -7.32
Solubility : 0.0000231 mg/ml ; 0.0000000483 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 4.07

Safety of [ 166881-43-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335-H413 Packing Group:
GHS Pictogram:
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