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[ CAS No. 17061-62-0 ] {[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| 17061-62-0
Chemical Structure| 17061-62-0
Structure of 17061-62-0 * Storage: {[proInfo.prStorage]}

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Product Details of [ 17061-62-0 ]

CAS No. :17061-62-0 MDL No. :MFCD00277836
Formula : C16H19NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :HBKPDEWGANZHJO-UHFFFAOYSA-N
M.W : 257.33 Pubchem ID :714952
Synonyms :

Calculated chemistry of [ 17061-62-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 19
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.25
Num. rotatable bonds : 6
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 76.49
TPSA : 30.49 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.16
Log Po/w (XLOGP3) : 2.73
Log Po/w (WLOGP) : 2.69
Log Po/w (MLOGP) : 2.57
Log Po/w (SILICOS-IT) : 3.49
Consensus Log Po/w : 2.93

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.23
Solubility : 0.153 mg/ml ; 0.000593 mol/l
Class : Soluble
Log S (Ali) : -3.02
Solubility : 0.243 mg/ml ; 0.000945 mol/l
Class : Soluble
Log S (SILICOS-IT) : -6.04
Solubility : 0.000237 mg/ml ; 0.000000923 mol/l
Class : Poorly soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.38

Safety of [ 17061-62-0 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P301+P330+P331-P305+P351+P338-P310-P303+P361+P353 UN#:3259
Hazard Statements:H314 Packing Group:
GHS Pictogram:
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