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[ CAS No. 32117-82-1 ] {[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+
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3d Animation Molecule Structure of 32117-82-1
Chemical Structure| 32117-82-1
Chemical Structure| 32117-82-1
Structure of 32117-82-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 32117-82-1 ]

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Alternatived Products of [ 32117-82-1 ]

Product Details of [ 32117-82-1 ]

CAS No. :32117-82-1 MDL No. :MFCD11226240
Formula : C3H7NO2 Boiling Point : -
Linear Structure Formula :- InChI Key :WHWRXFLOPJUZDK-UHFFFAOYSA-N
M.W : 89.09 Pubchem ID :11789129
Synonyms :

Calculated chemistry of [ 32117-82-1 ]

Physicochemical Properties

Num. heavy atoms : 6
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 21.1
TPSA : 29.54 Ų

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) : -7.0 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.13
Log Po/w (XLOGP3) : -0.22
Log Po/w (WLOGP) : -0.36
Log Po/w (MLOGP) : -0.04
Log Po/w (SILICOS-IT) : -0.94
Consensus Log Po/w : -0.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.12
Solubility : 67.3 mg/ml ; 0.755 mol/l
Class : Very soluble
Log S (Ali) : 0.06
Solubility : 102.0 mg/ml ; 1.14 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 0.42
Solubility : 234.0 mg/ml ; 2.63 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.76

Safety of [ 32117-82-1 ]

Signal Word:Danger Class:3
Precautionary Statements:P210 UN#:1993
Hazard Statements:H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 32117-82-1 ]

* 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.

  • Upstream synthesis route of [ 32117-82-1 ]
  • Downstream synthetic route of [ 32117-82-1 ]

[ 32117-82-1 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 1532-97-4 ]
  • [ 32117-82-1 ]
  • [ 22960-16-3 ]
Reference: [1] Tetrahedron Letters, 1999, vol. 40, # 45, p. 7889 - 7892
  • 2
  • [ 107-31-3 ]
  • [ 1117-97-1 ]
  • [ 32117-82-1 ]
Reference: [1] Tetrahedron Letters, 1999, vol. 40, # 45, p. 7889 - 7892
[2] Tetrahedron Letters, 2006, vol. 47, # 35, p. 6293 - 6295
  • 3
  • [ 624-28-2 ]
  • [ 32117-82-1 ]
  • [ 149806-06-4 ]
Reference: [1] Tetrahedron Letters, 1999, vol. 40, # 45, p. 7889 - 7892
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