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[ CAS No. 1228570-77-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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+
3d Animation Molecule Structure of 1228570-77-1
Chemical Structure| 1228570-77-1
Chemical Structure| 1228570-77-1
Structure of 1228570-77-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1228570-77-1 ]

CAS No. :1228570-77-1 MDL No. :MFCD14562117
Formula : C8H8FNO Boiling Point : -
Linear Structure Formula :- InChI Key :RMYMQTQTLUJTIX-SSDOTTSWSA-N
M.W : 153.15 Pubchem ID :40787217
Synonyms :

Calculated chemistry of [ 1228570-77-1 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.45
TPSA : 35.25 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) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 0.66
Log Po/w (WLOGP) : 1.31
Log Po/w (MLOGP) : 1.25
Log Po/w (SILICOS-IT) : 1.77
Consensus Log Po/w : 1.31

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.61
Solubility : 3.77 mg/ml ; 0.0246 mol/l
Class : Very soluble
Log S (Ali) : -0.98
Solubility : 16.2 mg/ml ; 0.106 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.36
Solubility : 0.665 mg/ml ; 0.00435 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.17

Safety of [ 1228570-77-1 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338 UN#:3259
Hazard Statements:H302-H318 Packing Group:
GHS Pictogram:
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