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[ CAS No. 325465-93-8 ] {[proInfo.proName]}

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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| 325465-93-8
Chemical Structure| 325465-93-8
Structure of 325465-93-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 325465-93-8 ]

CAS No. :325465-93-8 MDL No. :MFCD00133427
Formula : C21H40NaO7P Boiling Point : -
Linear Structure Formula :- InChI Key :XGRLSUFHELJJAB-JGSYTFBMSA-M
M.W : 458.50 Pubchem ID :44159357
Synonyms :
1-Oleoyl-sn-glycero-3-phosphate sodium;1-Oleoyl-LPA sodium;Oleoyl-sn-3-glycerophosphate;1-Oleoyl Lysophosphatidic Acid (sodium salt)

Calculated chemistry of [ 325465-93-8 ]

Physicochemical Properties

Num. heavy atoms : 30
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.86
Num. rotatable bonds : 21
Num. H-bond acceptors : 7.0
Num. H-bond donors : 2.0
Molar Refractivity : 115.57
TPSA : 125.93 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : -16.66
Log Po/w (XLOGP3) : 5.2
Log Po/w (WLOGP) : 5.48
Log Po/w (MLOGP) : 2.6
Log Po/w (SILICOS-IT) : 5.07
Consensus Log Po/w : 0.34

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.57
Solubility : 0.0123 mg/ml ; 0.0000267 mol/l
Class : Moderately soluble
Log S (Ali) : -7.59
Solubility : 0.0000117 mg/ml ; 0.0000000256 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -4.49
Solubility : 0.0147 mg/ml ; 0.0000321 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.04

Safety of [ 325465-93-8 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P201-P261-P280-P305+P351+P338-P308+P313 UN#:2811
Hazard Statements:H315-H317-H319-H335-H360 Packing Group:
GHS Pictogram:
Same Skeleton Products
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Reason: Free-Salt