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[ CAS No. 1080-32-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1080-32-6
Chemical Structure| 1080-32-6
Chemical Structure| 1080-32-6
Structure of 1080-32-6 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1080-32-6 ]

Related Doc. of [ 1080-32-6 ]

Alternatived Products of [ 1080-32-6 ]

Product Details of [ 1080-32-6 ]

CAS No. :1080-32-6 MDL No. :MFCD00009078
Formula : C11H17O3P Boiling Point : -
Linear Structure Formula :- InChI Key :AIPRAPZUGUTQKX-UHFFFAOYSA-N
M.W : 228.22 Pubchem ID :14122
Synonyms :

Calculated chemistry of [ 1080-32-6 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 6
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 61.47
TPSA : 45.34 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.41
Log Po/w (XLOGP3) : 1.7
Log Po/w (WLOGP) : 3.3
Log Po/w (MLOGP) : 2.1
Log Po/w (SILICOS-IT) : 1.95
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) : -2.23
Solubility : 1.36 mg/ml ; 0.00594 mol/l
Class : Soluble
Log S (Ali) : -2.27
Solubility : 1.23 mg/ml ; 0.0054 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.89
Solubility : 0.0293 mg/ml ; 0.000128 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.38

Safety of [ 1080-32-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1080-32-6 ]

* 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 [ 1080-32-6 ]
  • Downstream synthetic route of [ 1080-32-6 ]

[ 1080-32-6 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 108-86-1 ]
  • [ 1080-32-6 ]
  • [ 27329-60-8 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 5, p. 1446 - 1449
  • 2
  • [ 108-86-1 ]
  • [ 1080-32-6 ]
  • [ 865-48-5 ]
  • [ 1595063-06-1 ]
  • [ 27329-60-8 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 5, p. 1446 - 1449
  • 3
  • [ 108-86-1 ]
  • [ 1080-32-6 ]
  • [ 1907-33-1 ]
  • [ 1595063-06-1 ]
  • [ 27329-60-8 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 5, p. 1446 - 1449
  • 4
  • [ 108-86-1 ]
  • [ 1080-32-6 ]
  • [ 865-47-4 ]
  • [ 1595063-06-1 ]
  • [ 27329-60-8 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 5, p. 1446 - 1449
  • 5
  • [ 74-96-4 ]
  • [ 1080-32-6 ]
  • [ 33973-50-1 ]
  • [ 27329-60-8 ]
Reference: [1] Organic Letters, 2014, vol. 16, # 5, p. 1446 - 1449
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[ 1080-32-6 ]

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