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[ CAS No. 39207-65-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 39207-65-3
Chemical Structure| 39207-65-3
Structure of 39207-65-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 39207-65-3 ]

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Product Citations

Product Details of [ 39207-65-3 ]

CAS No. :39207-65-3 MDL No. :MFCD00466185
Formula : C10H16O2 Boiling Point : -
Linear Structure Formula :- InChI Key :PFOYYSGBGILOQZ-UHFFFAOYSA-N
M.W : 168.23 Pubchem ID :11469301
Synonyms :

Calculated chemistry of [ 39207-65-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.8
Num. rotatable bonds : 2
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.47
TPSA : 34.14 ?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) : -5.96 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.78
Log Po/w (XLOGP3) : 1.93
Log Po/w (WLOGP) : 1.97
Log Po/w (MLOGP) : 1.27
Log Po/w (SILICOS-IT) : 2.46
Consensus Log Po/w : 1.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.97
Solubility : 1.82 mg/ml ; 0.0108 mol/l
Class : Very soluble
Log S (Ali) : -2.27
Solubility : 0.902 mg/ml ; 0.00536 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.97
Solubility : 1.8 mg/ml ; 0.0107 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.08

Safety of [ 39207-65-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H302-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 39207-65-3 ]

* 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 [ 39207-65-3 ]

[ 39207-65-3 ] Synthesis Path-Downstream   1~14

  • 1
  • [ 670-80-4 ]
  • [ 79-30-1 ]
  • [ 39207-65-3 ]
  • 2
  • [ 39207-65-3 ]
  • [ 19501-58-7 ]
  • 4,5,6,7-tetrahydro-2-(4-methoxyphenyl)-3-isopropylindazole [ No CAS ]
  • 3
  • [ 39207-65-3 ]
  • [ 1073-70-7 ]
  • 4,5,6,7-tetrahydro-2-(4-chlorophenyl)-3-isopropylindazole [ No CAS ]
  • 5
  • [ 96520-00-2 ]
  • [ 39207-65-3 ]
  • 6
  • [ 39207-65-3 ]
  • [ 100-63-0 ]
  • [ 91266-46-5 ]
  • 7
  • [ 39207-65-3 ]
  • [ 107-15-3 ]
  • C22H36N2O2 [ No CAS ]
  • 8
  • [ 39207-65-3 ]
  • [ 2449-05-0 ]
  • N,N'-bis(benzyloxycarbonyl)-1-hydrazino-1-isobutyryl-cyclohexan-2-one [ No CAS ]
  • N,N'-bis(benzyloxycarbonyl)-1-hydrazino-1-isobutyryl-cyclohexan-2-one [ No CAS ]
  • 9
  • [ 547-63-7 ]
  • [ 108-94-1 ]
  • [ 39207-65-3 ]
  • 10
  • [ 108-94-1 ]
  • [ 79-30-1 ]
  • [ 39207-65-3 ]
  • 1-cyclohex-1-enyl isobutyrate [ No CAS ]
  • 11
  • [ 39207-65-3 ]
  • 2-(4-chlorophenyl)-3-isopropylindazole [ No CAS ]
  • 12
  • [ 39207-65-3 ]
  • 2-(4-methoxyphenyl)-3-isopropylindazole [ No CAS ]
  • 13
  • [ 39207-65-3 ]
  • 1-methyl-2-phenyl-3-isopropylindazolium triflate [ No CAS ]
  • 14
  • [ 39207-65-3 ]
  • [ 75379-01-0 ]
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Technical Information

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