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[ CAS No. 586961-34-4 ] {[proInfo.proName]}

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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| 586961-34-4
Chemical Structure| 586961-34-4
Structure of 586961-34-4 * Storage: {[proInfo.prStorage]}

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Product Details of [ 586961-34-4 ]

CAS No. :586961-34-4 MDL No. :MFCD11040590
Formula : C10H20N2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PAXDIBGWURAVIH-YUMQZZPRSA-N
M.W : 200.28 Pubchem ID :17040218
Synonyms :

Calculated chemistry of [ 586961-34-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 55.29
TPSA : 64.35 ?2

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) : -6.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 1.39
Log Po/w (MLOGP) : 0.86
Log Po/w (SILICOS-IT) : 0.35
Consensus Log Po/w : 1.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.43
Solubility : 7.46 mg/ml ; 0.0373 mol/l
Class : Very soluble
Log S (Ali) : -1.91
Solubility : 2.47 mg/ml ; 0.0123 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.4
Solubility : 7.9 mg/ml ; 0.0394 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.92

Safety of [ 586961-34-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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