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[ CAS No. 321921-71-5 ] {[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| 321921-71-5
Chemical Structure| 321921-71-5
Structure of 321921-71-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 321921-71-5 ]

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Product Details of [ 321921-71-5 ]

CAS No. :321921-71-5 MDL No. :MFCD05861606
Formula : C24H39P Boiling Point : -
Linear Structure Formula :P(C4H9)(C10H15)2 InChI Key :HTJWUNNIRKDDIV-UHFFFAOYSA-N
M.W : 358.54 Pubchem ID :11371790
Synonyms :

Calculated chemistry of [ 321921-71-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 5
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 112.85
TPSA : 13.59 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.47
Log Po/w (XLOGP3) : 6.53
Log Po/w (WLOGP) : 7.21
Log Po/w (MLOGP) : 6.94
Log Po/w (SILICOS-IT) : 6.8
Consensus Log Po/w : 6.39

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 1.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -5.85
Solubility : 0.00051 mg/ml ; 0.00000142 mol/l
Class : Moderately soluble
Log S (Ali) : -6.61
Solubility : 0.0000875 mg/ml ; 0.000000244 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.68
Solubility : 0.000753 mg/ml ; 0.0000021 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 7.65

Safety of [ 321921-71-5 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P301+P310+P330-P302+P352+P312-P304+P340+P311-P305+P351+P338-P332+P313-P337+P313-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301+H311+H331-H315-H319-H335 Packing Group:
GHS Pictogram:
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