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[ CAS No. 878376-35-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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 878376-35-3
Chemical Structure| 878376-35-3
Chemical Structure| 878376-35-3
Structure of 878376-35-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 878376-35-3 ]

CAS No. :878376-35-3 MDL No. :MFCD09265513
Formula : C5H4FNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :FCFXLXGZHDHJLB-UHFFFAOYSA-N
M.W : 161.15 Pubchem ID :11615218
Synonyms :

Calculated chemistry of [ 878376-35-3 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 32.58
TPSA : 55.41 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) : -6.6 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.82
Log Po/w (XLOGP3) : 0.96
Log Po/w (WLOGP) : 2.24
Log Po/w (MLOGP) : -0.3
Log Po/w (SILICOS-IT) : 0.69
Consensus Log Po/w : 0.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.82
Solubility : 2.43 mg/ml ; 0.0151 mol/l
Class : Very soluble
Log S (Ali) : -1.71
Solubility : 3.14 mg/ml ; 0.0195 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.22
Solubility : 0.976 mg/ml ; 0.00605 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.68

Safety of [ 878376-35-3 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 878376-35-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 878376-35-3 ]

[ 878376-35-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 878376-35-3 ]
  • [ 133057-83-7 ]
  • [ 1803282-56-5 ]
YieldReaction ConditionsOperation in experiment
91% With palladium(II) acetylacetonate; ruphos In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; Sealed tube;
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