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[ CAS No. 107-75-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 107-75-5
Chemical Structure| 107-75-5
Structure of 107-75-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 107-75-5 ]

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Product Details of [ 107-75-5 ]

CAS No. :107-75-5 MDL No. :MFCD00014681
Formula : C10H20O2 Boiling Point : -
Linear Structure Formula :(CH3)2(HO)CCH2CH2CH2CH(CH3)CH2CHO InChI Key :WPFVBOQKRVRMJB-UHFFFAOYSA-N
M.W : 172.26 Pubchem ID :7888
Synonyms :

Calculated chemistry of [ 107-75-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.9
Num. rotatable bonds : 6
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.58
TPSA : 37.3 ?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) : -6.19 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.31
Log Po/w (XLOGP3) : 1.64
Log Po/w (WLOGP) : 2.15
Log Po/w (MLOGP) : 1.77
Log Po/w (SILICOS-IT) : 2.29
Consensus Log Po/w : 2.03

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.55
Solubility : 4.91 mg/ml ; 0.0285 mol/l
Class : Very soluble
Log S (Ali) : -2.04
Solubility : 1.58 mg/ml ; 0.0092 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.13
Solubility : 1.29 mg/ml ; 0.00746 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.09

Safety of [ 107-75-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280 UN#:N/A
Hazard Statements:H317 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 107-75-5 ]

* 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 [ 107-75-5 ]

[ 107-75-5 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 2385-77-5 ]
  • [ 107-75-5 ]
  • 2
  • [ 107-75-5 ]
  • [ 18479-57-7 ]
  • 3
  • [ 68797-68-2 ]
  • [ 107-75-5 ]
  • 4
  • [ 67-56-1 ]
  • [ 123366-53-0 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
  • 5
  • [ 67-56-1 ]
  • [ 42822-94-6 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
  • 6
  • [ 67-56-1 ]
  • [ 42822-96-8 ]
  • [ 106-23-0 ]
  • [ 107-75-5 ]
  • [ 3613-30-7 ]
  • 8
  • [ 107-75-5 ]
  • [ 98206-63-4 ]
  • 9
  • [ 107-75-5 ]
  • 2-(4-methylcyclohex-1-en-1-yl)prop-2-yl cation [ No CAS ]
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