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[ CAS No. 116241-61-3 ] 2-Fluoro-6-methoxypyridine

Cat. No.: A242545
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| 116241-61-3
Chemical Structure| 116241-61-3
Structure of 116241-61-3 * Storage: Inert atmosphere,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
98% 1g $12.00 Inquiry Inquiry
98% 5g $15.00 Inquiry Inquiry
98% 10g $18.00 Inquiry Inquiry
98% 25g $32.00 Inquiry Inquiry
98% 100g $99.00 Inquiry Inquiry
98% 500g $346.00 Inquiry Inquiry

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Product Details of [ 116241-61-3 ]

CAS No. :116241-61-3 MDL No. :MFCD09998161
Formula : C6H6FNO Boiling Point : -
Linear Structure Formula :- InChI Key :PKZOFECOOLMHMG-UHFFFAOYSA-N
M.W : 127.12 Pubchem ID :14296367
Synonyms :

Calculated chemistry of [ 116241-61-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 30.69
TPSA : 22.12 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) : -5.35 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.9
Log Po/w (XLOGP3) : 2.43
Log Po/w (WLOGP) : 1.65
Log Po/w (MLOGP) : 0.99
Log Po/w (SILICOS-IT) : 1.78
Consensus Log Po/w : 1.75

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.59
Solubility : 0.329 mg/ml ; 0.00259 mol/l
Class : Soluble
Log S (Ali) : -2.54
Solubility : 0.369 mg/ml ; 0.0029 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.39
Solubility : 0.517 mg/ml ; 0.00406 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.76

Safety of [ 116241-61-3 ]

Signal Word:Danger Class:3
Precautionary Statements:P261-P305+P351+P338 UN#:1993
Hazard Statements:H225-H315-H319-H335 Packing Group:
GHS Pictogram:
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