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[ CAS No. 291775-59-2 ] {[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| 291775-59-2
Chemical Structure| 291775-59-2
Structure of 291775-59-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 291775-59-2 ]

CAS No. :291775-59-2 MDL No. :MFCD11099876
Formula : C12H19NO4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 241.28 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 291775-59-2 ]

Physicochemical Properties

Num. heavy atoms : 17
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 4
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 65.86
TPSA : 66.84 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.21
Log Po/w (XLOGP3) : 1.68
Log Po/w (WLOGP) : 1.48
Log Po/w (MLOGP) : 1.31
Log Po/w (SILICOS-IT) : 0.36
Consensus Log Po/w : 1.41

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.79 mg/ml ; 0.00741 mol/l
Class : Soluble
Log S (Ali) : -2.7
Solubility : 0.483 mg/ml ; 0.002 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.47
Solubility : 82.7 mg/ml ; 0.343 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 4.01

Safety of [ 291775-59-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P201-P273-P302+P352-P305+P351+P338-P308+P313 UN#:3077
Hazard Statements:H315-H319-H335-H360-H400 Packing Group:
GHS Pictogram:
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