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[ CAS No. 7583-53-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7583-53-1
Chemical Structure| 7583-53-1
Structure of 7583-53-1 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7583-53-1 ]

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Product Citations

Product Details of [ 7583-53-1 ]

CAS No. :7583-53-1 MDL No. :MFCD00006497
Formula : C7H15NO Boiling Point : No data available
Linear Structure Formula :CH3NC5H9CH2OH InChI Key :UGXQXVDTGJCQHR-UHFFFAOYSA-N
M.W : 129.20 Pubchem ID :97998
Synonyms :

Calculated chemistry of [ 7583-53-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 41.62
TPSA : 23.47 ?2

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.86 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.93
Log Po/w (XLOGP3) : 0.32
Log Po/w (WLOGP) : -0.06
Log Po/w (MLOGP) : 0.57
Log Po/w (SILICOS-IT) : 0.78
Consensus Log Po/w : 0.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.78
Solubility : 21.6 mg/ml ; 0.167 mol/l
Class : Very soluble
Log S (Ali) : -0.38
Solubility : 54.3 mg/ml ; 0.421 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.55
Solubility : 36.2 mg/ml ; 0.28 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.64

Safety of [ 7583-53-1 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H227-H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7583-53-1 ]

* 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 [ 7583-53-1 ]

[ 7583-53-1 ] Synthesis Path-Downstream   1~12

  • 1
  • [ 7583-53-1 ]
  • [ 40052-13-9 ]
  • [ 127945-26-0 ]
  • 2
  • [ 7583-53-1 ]
  • [ 30293-86-8 ]
  • [ 147146-13-2 ]
  • 3
  • [ 7583-53-1 ]
  • [ 110521-96-5 ]
  • [ 128014-59-5 ]
  • 4
  • [ 7583-53-1 ]
  • [ 100415-25-6 ]
  • [ 127944-76-7 ]
  • 6
  • [ 7583-53-1 ]
  • [ 98-88-4 ]
  • [ 132462-24-9 ]
  • 7
  • [ 7583-53-1 ]
  • [ 137364-92-2 ]
  • C17H28N3O2(1+)*H(1+) [ No CAS ]
  • C17H28N3O2(1+)*H(1+) [ No CAS ]
  • 8
  • [ 7583-53-1 ]
  • [ 77042-85-4 ]
  • [ 77042-70-7 ]
  • 9
  • [ 7583-53-1 ]
  • [ 4122-68-3 ]
  • [ 80842-08-6 ]
  • 10
  • [ 7583-53-1 ]
  • [ 74-88-4 ]
  • [ 131297-57-9 ]
  • 11
  • [ 7583-53-1 ]
  • [ 66496-82-0 ]
  • 12
  • [ 7583-53-1 ]
  • 3-[4-(2-piperidin-1-yl-ethoxy)-benzyl]-2-(4-triisopropylsilanyloxy-phenyl)-benzo[<i>b</i>]thiophen-6-ol [ No CAS ]
  • 2-(4-(N-methylpiperidino-3-methyloxy)-phenyl)-3-(4'-(2-piperidinoethyloxy)phenyl)-6-hydroxybenzothiophene [ No CAS ]
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