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[ CAS No. 67526-95-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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| 67526-95-8
Chemical Structure| 67526-95-8
Structure of 67526-95-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 67526-95-8 ]

CAS No. :67526-95-8 MDL No. :MFCD00083511
Formula : C34H50O12 Boiling Point : -
Linear Structure Formula :- InChI Key :IXFPJGBNCFXKPI-FSIHEZPISA-N
M.W : 650.75 Pubchem ID :446378
Synonyms :

Calculated chemistry of [ 67526-95-8 ]

Physicochemical Properties

Num. heavy atoms : 46
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.74
Num. rotatable bonds : 17
Num. H-bond acceptors : 12.0
Num. H-bond donors : 2.0
Molar Refractivity : 167.12
TPSA : 171.96 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.73 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.65
Log Po/w (XLOGP3) : 3.57
Log Po/w (WLOGP) : 3.93
Log Po/w (MLOGP) : 2.24
Log Po/w (SILICOS-IT) : 5.12
Consensus Log Po/w : 4.1

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.0
Solubility : 0.00648 mg/ml ; 0.00000996 mol/l
Class : Moderately soluble
Log S (Ali) : -6.87
Solubility : 0.0000884 mg/ml ; 0.000000136 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.28
Solubility : 0.00341 mg/ml ; 0.00000524 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 7.26

Safety of [ 67526-95-8 ]

Signal Word:Danger Class:N/A
Precautionary Statements:P261-P264-P271-P280-P284-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P342+P311-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H315-H319-H334-H335 Packing Group:N/A
GHS Pictogram:
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