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Chemistry
Organic Building Blocks
Aryls
benzyl
2-Amino-2-(4-fluorophenyl)ethanol
Chemistry
Organic Building Blocks
Aryls
Amines Fluorinated Building Blocks Alcohols Phenols Benzene Compounds
benzyl
fluorobenzene 2-amino-2-phenylethan-1-ol amino-ethanol

[ CAS No. 140373-17-7 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 140373-17-7
Chemical Structure| 140373-17-7
Chemical Structure| 140373-17-7
Structure of 140373-17-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 140373-17-7 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 140373-17-7 ]

SDS Specification
Alternatived Products of [ 140373-17-7 ]

Product Details of [ 140373-17-7 ]

CAS No. :140373-17-7 MDL No. :MFCD11213644
Formula : C8H10FNO Boiling Point : -
Linear Structure Formula :- InChI Key :SRQPEYLZIUEVIA-UHFFFAOYSA-N
M.W : 155.17 Pubchem ID :14853201
Synonyms :

Calculated chemistry of [ 140373-17-7 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 3.0
Num. H-bond donors : 2.0
Molar Refractivity : 40.04
TPSA : 46.25 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) : -7.08 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 0.23
Log Po/w (WLOGP) : 0.91
Log Po/w (MLOGP) : 1.37
Log Po/w (SILICOS-IT) : 1.4
Consensus Log Po/w : 1.12

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.22
Solubility : 9.38 mg/ml ; 0.0605 mol/l
Class : Very soluble
Log S (Ali) : -0.76
Solubility : 26.9 mg/ml ; 0.173 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.18
Solubility : 1.02 mg/ml ; 0.00659 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.57

Safety of [ 140373-17-7 ]

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

Application In Synthesis of [ 140373-17-7 ]

* 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 [ 140373-17-7 ]
  • Downstream synthetic route of [ 140373-17-7 ]

[ 140373-17-7 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 7292-73-1 ]
  • [ 140373-17-7 ]
Reference： [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 24, p. 4981 - 5001
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 17, p. 6803 - 6818
  • 2
  • [ 866886-40-0 ]
  • [ 140373-17-7 ]
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 24, p. 6075 - 6078
  • 3
  • [ 18511-62-1 ]
  • [ 140373-17-7 ]
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 24, p. 6075 - 6078
  • 4
  • [ 405-99-2 ]
  • [ 140373-17-7 ]
Reference： [1] Bioorganic and Medicinal Chemistry Letters, 2004, vol. 14, # 24, p. 6075 - 6078
  • 5
  • [ 7589-27-7 ]
  • [ 140373-17-7 ]
Reference： [1] Journal of the American Chemical Society, 2017, vol. 139, # 30, p. 10204 - 10207

Tags: 140373-17-7 synthesis path| 140373-17-7 SDS| 140373-17-7 COA| 140373-17-7 purity| 140373-17-7 application| 140373-17-7 NMR| 140373-17-7 COA| 140373-17-7 structure

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