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[ CAS No. 188404-10-6 ] {[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| 188404-10-6
Chemical Structure| 188404-10-6
Structure of 188404-10-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 188404-10-6 ]

CAS No. :188404-10-6 MDL No. :MFCD03095722
Formula : C21H36FO2P Boiling Point : -
Linear Structure Formula :- InChI Key :KWKZCGMJGHHOKJ-ZKWNWVNESA-N
M.W : 370.48 Pubchem ID :10429254
Synonyms :
Chemical Name :(all-Z)-5,8,11,14-Eicosatetraenylphosphonofluoridic Acid Methyl Ester

Calculated chemistry of [ 188404-10-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 25
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.62
Num. rotatable bonds : 16
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 110.96
TPSA : 36.11 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -3.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 5.24
Log Po/w (XLOGP3) : 6.89
Log Po/w (WLOGP) : 8.36
Log Po/w (MLOGP) : 5.09
Log Po/w (SILICOS-IT) : 6.89
Consensus Log Po/w : 6.49

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.42
Solubility : 0.0014 mg/ml ; 0.00000379 mol/l
Class : Moderately soluble
Log S (Ali) : -7.46
Solubility : 0.0000129 mg/ml ; 0.0000000347 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.45
Solubility : 0.00131 mg/ml ; 0.00000355 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 5.09

Safety of [ 188404-10-6 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P233-P240-P241-P242-P243-P261-P264-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338-P337+P313-P370+P378-P403+P233-P403+P235-P405-P501 UN#:3272
Hazard Statements:H225-H319-H336 Packing Group:
GHS Pictogram:
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