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[ CAS No. 383907-17-3 ] 3-Amino-2-methyl-6-(trifluoromethyl)pyridine

Cat. No.: A593363
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| 383907-17-3
Chemical Structure| 383907-17-3
Structure of 383907-17-3 * Storage: Keep in dark place,Inert atmosphere,Room temperature

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* Storage: Keep in dark place,Inert atmosphere,Room temperature

* Shipping: Normal

Quality Control of [ 383907-17-3 ]

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Product Details of [ 383907-17-3 ]

CAS No. :383907-17-3 MDL No. :MFCD01311991
Formula : C7H7F3N2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FUJKUIAVFVGTGS-UHFFFAOYSA-N
M.W : 176.14 Pubchem ID :3521850
Synonyms :

Calculated chemistry of [ 383907-17-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.61
TPSA : 38.91 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) : -6.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.41
Log Po/w (XLOGP3) : 1.49
Log Po/w (WLOGP) : 3.15
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 2.09
Consensus Log Po/w : 1.88

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.17
Solubility : 1.18 mg/ml ; 0.00669 mol/l
Class : Soluble
Log S (Ali) : -1.91
Solubility : 2.14 mg/ml ; 0.0122 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.94
Solubility : 0.204 mg/ml ; 0.00116 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 383907-17-3 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H315-H319-H335 Packing Group:
GHS Pictogram:
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