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[ CAS No. 13689-19-5 ] {[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| 13689-19-5
Chemical Structure| 13689-19-5
Structure of 13689-19-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 13689-19-5 ]

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Product Details of [ 13689-19-5 ]

CAS No. :13689-19-5 MDL No. :MFCD00014298
Formula : C18H33OP Boiling Point : -
Linear Structure Formula :- InChI Key :LEFPWWWXFFNJAA-UHFFFAOYSA-N
M.W : 296.42 Pubchem ID :26187
Synonyms :

Calculated chemistry of [ 13689-19-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 90.96
TPSA : 26.88 ?2

Pharmacokinetics

GI absorption : High
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) : -4.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.49
Log Po/w (XLOGP3) : 4.81
Log Po/w (WLOGP) : 6.35
Log Po/w (MLOGP) : 4.4
Log Po/w (SILICOS-IT) : 4.44
Consensus Log Po/w : 4.7

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 0.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -4.51
Solubility : 0.00916 mg/ml ; 0.0000309 mol/l
Class : Moderately soluble
Log S (Ali) : -5.11
Solubility : 0.00232 mg/ml ; 0.00000782 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.2
Solubility : 0.0188 mg/ml ; 0.0000634 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.55

Safety of [ 13689-19-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:
GHS Pictogram:
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