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[ CAS No. 17763-67-6 ] {[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| 17763-67-6
Chemical Structure| 17763-67-6
Structure of 17763-67-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 17763-67-6 ]

CAS No. :17763-67-6 MDL No. :MFCD00192399
Formula : C7H5F3O3S Boiling Point : No data available
Linear Structure Formula :- InChI Key :GRJHONXDTNBDTC-UHFFFAOYSA-N
M.W : 226.17 Pubchem ID :548641
Synonyms :

Calculated chemistry of [ 17763-67-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 0.0
Molar Refractivity : 42.09
TPSA : 51.75 Ų

Pharmacokinetics

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

Lipophilicity

Log Po/w (iLOGP) : 1.49
Log Po/w (XLOGP3) : 2.46
Log Po/w (WLOGP) : 4.26
Log Po/w (MLOGP) : 1.94
Log Po/w (SILICOS-IT) : 1.29
Consensus Log Po/w : 2.29

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.91
Solubility : 0.277 mg/ml ; 0.00123 mol/l
Class : Soluble
Log S (Ali) : -3.19
Solubility : 0.146 mg/ml ; 0.000645 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.96
Solubility : 0.25 mg/ml ; 0.0011 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.39

Safety of [ 17763-67-6 ]

Signal Word:Danger Class:6.1,8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:2927
Hazard Statements:H301-H311-H314 Packing Group:
GHS Pictogram:
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