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[ CAS No. 342573-75-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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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| 342573-75-5
Chemical Structure| 342573-75-5
Structure of 342573-75-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 342573-75-5 ]

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Product Citations

Product Details of [ 342573-75-5 ]

CAS No. :342573-75-5 MDL No. :MFCD06798189
Formula : C8H16N2O4S Boiling Point : -
Linear Structure Formula :- InChI Key :VRFOKYHDLYBVAL-UHFFFAOYSA-M
M.W : 236.29 Pubchem ID :12095229
Synonyms :

Calculated chemistry of [ 342573-75-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 5
Fraction Csp3 : 0.62
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 55.59
TPSA : 83.62 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.76 cm/s

Lipophilicity

Log Po/w (iLOGP) : -1.76
Log Po/w (XLOGP3) : -0.03
Log Po/w (WLOGP) : 0.9
Log Po/w (MLOGP) : -0.52
Log Po/w (SILICOS-IT) : 0.26
Consensus Log Po/w : -0.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.33
Solubility : 10.9 mg/ml ; 0.0463 mol/l
Class : Very soluble
Log S (Ali) : -1.28
Solubility : 12.5 mg/ml ; 0.053 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.71
Solubility : 46.5 mg/ml ; 0.197 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 3.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.21

Safety of [ 342573-75-5 ]

Signal Word:Danger Class:8,6.1
Precautionary Statements:P201-P280-P303+P361+P353-P304+P340+P310-P305+P351+P338+P310-P308+P313 UN#:2922
Hazard Statements:H302-H311-H314-H340-H350 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 342573-75-5 ]

* 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 [ 342573-75-5 ]
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