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[ CAS No. 25939-81-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 25939-81-5
Chemical Structure| 25939-81-5
Structure of 25939-81-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 25939-81-5 ]

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Product Citations

Product Details of [ 25939-81-5 ]

CAS No. :25939-81-5 MDL No. :MFCD00956664
Formula : C11H15N Boiling Point : No data available
Linear Structure Formula :- InChI Key :UDWVZWUSBKDYPY-UHFFFAOYSA-N
M.W : 161.24 Pubchem ID :3798338
Synonyms :

Calculated chemistry of [ 25939-81-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.45
Num. rotatable bonds : 1
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 55.4
TPSA : 12.03 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.69 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.37
Log Po/w (XLOGP3) : 2.25
Log Po/w (WLOGP) : 1.58
Log Po/w (MLOGP) : 2.39
Log Po/w (SILICOS-IT) : 2.83
Consensus Log Po/w : 2.28

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.56
Solubility : 0.443 mg/ml ; 0.00275 mol/l
Class : Soluble
Log S (Ali) : -2.14
Solubility : 1.17 mg/ml ; 0.00727 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.83
Solubility : 0.0239 mg/ml ; 0.000148 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.01

Safety of [ 25939-81-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 25939-81-5 ]

* 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 [ 25939-81-5 ]

[ 25939-81-5 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 3230-65-7 ]
  • [ 925-90-6 ]
  • [ 25939-81-5 ]
  • 2
  • [ 41173-70-0 ]
  • [ 25939-81-5 ]
  • 3
  • [ 91-21-4 ]
  • [ 75-03-6 ]
  • [ 25939-81-5 ]
  • 4
  • [ 25939-81-5 ]
  • [ 4206-67-1 ]
  • [ 144436-89-5 ]
  • 5
  • [ 925-90-6 ]
  • <(η5-C5H5)Re(NO)(PPh3)(iso-NC9H7)>+TfO- [ No CAS ]
  • [ 25939-81-5 ]
  • 7
  • [1-Phenyl-prop-(Z)-ylidene]-(2-phenylsulfanyl-ethyl)-amine [ No CAS ]
  • [ 25939-81-5 ]
  • 8
  • [ 886759-13-3 ]
  • [ 25939-81-5 ]
  • 9
  • [ 886759-19-9 ]
  • [ 25939-81-5 ]
  • 10
  • [ 886759-31-5 ]
  • [ 25939-81-5 ]
  • 11
  • [ 886759-25-7 ]
  • [ 25939-81-5 ]
  • 12
  • [ 93-55-0 ]
  • bis3-1,3-diphenylallyl)palladium> [ No CAS ]
  • [ 25939-81-5 ]
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