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[ CAS No. 34270-90-1 ] {[proInfo.proName]}

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Type HazMat fee for 500 gram (Estimated)
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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+
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Chemical Structure| 34270-90-1
Chemical Structure| 34270-90-1
Structure of 34270-90-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 34270-90-1 ]

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Product Citations

Product Details of [ 34270-90-1 ]

CAS No. :34270-90-1 MDL No. :MFCD00092250
Formula : C4H8I2O Boiling Point : -
Linear Structure Formula :- InChI Key :XWYDQETVMJZUOJ-UHFFFAOYSA-N
M.W : 325.91 Pubchem ID :3430779
Synonyms :

Calculated chemistry of [ 34270-90-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 7
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.35
TPSA : 9.23 ?2

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) : -6.66 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 2.29
Log Po/w (WLOGP) : 1.87
Log Po/w (MLOGP) : 2.22
Log Po/w (SILICOS-IT) : 2.56
Consensus Log Po/w : 2.25

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.298 mg/ml ; 0.000913 mol/l
Class : Soluble
Log S (Ali) : -2.12
Solubility : 2.46 mg/ml ; 0.00756 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.12
Solubility : 0.25 mg/ml ; 0.000767 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 2.96

Safety of [ 34270-90-1 ]

Signal Word:Danger Class:3,8
Precautionary Statements:P280-P305+P351+P338 UN#:2924
Hazard Statements:H225-H317-H318 Packing Group:Ⅲ
GHS Pictogram:

Application In Synthesis of [ 34270-90-1 ]

* 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 [ 34270-90-1 ]

[ 34270-90-1 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 110-86-1 ]
  • [ 34270-90-1 ]
  • 1,1'-(3-oxa-pentanediyl)-bis-pyridinium; diiodide [ No CAS ]
  • 2
  • [ 2744-08-3 ]
  • [ 34270-90-1 ]
  • 3,4-dihydro-1<i>H</i>-spiro[isoquinoline-2,4'-morpholinium]; iodide [ No CAS ]
  • 3
  • [ 288-47-1 ]
  • [ 34270-90-1 ]
  • [ 111961-71-8 ]
  • 4
  • [ 109-06-8 ]
  • [ 34270-90-1 ]
  • 2,2'-dimethyl-1,1'-(3-oxa-pentanediyl)-bis-pyridinium; diiodide [ No CAS ]
  • 5
  • [ 3581-89-3 ]
  • [ 34270-90-1 ]
  • [ 109651-81-2 ]
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