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[ CAS No. 106-23-0 ] {[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+
3d Animation Molecule Structure of 106-23-0
Chemical Structure| 106-23-0
Chemical Structure| 106-23-0
Structure of 106-23-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 106-23-0 ]

CAS No. :106-23-0 MDL No. :MFCD00038090
Formula : C10H18O Boiling Point : -
Linear Structure Formula :(CH3)2CCHCH2CH2CH(CH3)CH2COH InChI Key :NEHNMFOYXAPHSD-UHFFFAOYSA-N
M.W : 154.25 Pubchem ID :7794
Synonyms :
Chemical Name :3,7-Dimethyloct-6-enal

Calculated chemistry of [ 106-23-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.7
Num. rotatable bonds : 5
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.91
TPSA : 17.07 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) : -4.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.49
Log Po/w (XLOGP3) : 3.83
Log Po/w (WLOGP) : 2.96
Log Po/w (MLOGP) : 2.59
Log Po/w (SILICOS-IT) : 2.82
Consensus Log Po/w : 2.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.88
Solubility : 0.204 mg/ml ; 0.00132 mol/l
Class : Soluble
Log S (Ali) : -3.88
Solubility : 0.0201 mg/ml ; 0.000131 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.33
Solubility : 0.726 mg/ml ; 0.00471 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.57

Safety of [ 106-23-0 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3082
Hazard Statements:H302-H319-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 106-23-0 ]

* 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 [ 106-23-0 ]
  • Downstream synthetic route of [ 106-23-0 ]

[ 106-23-0 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 106-22-9 ]
  • [ 16409-43-1 ]
  • [ 106-23-0 ]
  • [ 29606-79-9 ]
  • [ 89-79-2 ]
Reference: [1] Journal of Organic Chemistry, 2006, vol. 71, # 3, p. 1039 - 1042
  • 2
  • [ 106-23-0 ]
  • [ 791-28-6 ]
  • [ 2051-18-5 ]
Reference: [1] Patent: US4002769, 1977, A,
  • 3
  • [ 67-56-1 ]
  • [ 123366-53-0 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
Reference: [1] Acta Chimica Hungarica, 1985, vol. 119, # 4, p. 347 - 354
  • 4
  • [ 67-56-1 ]
  • [ 42822-94-6 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
Reference: [1] Acta Chimica Hungarica, 1985, vol. 119, # 4, p. 347 - 354
  • 5
  • [ 67-56-1 ]
  • [ 42822-96-8 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
Reference: [1] Acta Chimica Hungarica, 1985, vol. 119, # 4, p. 347 - 354
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