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[ CAS No. 2924-16-5 ] {[proInfo.proName]}

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Chemical Structure| 2924-16-5
Chemical Structure| 2924-16-5
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Product Details of [ 2924-16-5 ]

CAS No. :2924-16-5 MDL No. :MFCD00012934
Formula : C6H8ClFN2 Boiling Point : -
Linear Structure Formula :- InChI Key :SKVGLOFWEJFQKU-UHFFFAOYSA-N
M.W : 162.59 Pubchem ID :2723914
Synonyms :

Calculated chemistry of [ 2924-16-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 39.46
TPSA : 38.05 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.83 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 2.06
Log Po/w (WLOGP) : -1.54
Log Po/w (MLOGP) : 2.13
Log Po/w (SILICOS-IT) : 0.79
Consensus Log Po/w : 0.69

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.52
Solubility : 0.487 mg/ml ; 0.00299 mol/l
Class : Soluble
Log S (Ali) : -2.49
Solubility : 0.529 mg/ml ; 0.00325 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.33
Solubility : 0.766 mg/ml ; 0.00471 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.45

Safety of [ 2924-16-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302+H312+H332-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2924-16-5 ]

* 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.

  • Upstream synthesis route of [ 2924-16-5 ]
  • Downstream synthetic route of [ 2924-16-5 ]

[ 2924-16-5 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 658-27-5 ]
  • [ 2924-16-5 ]
YieldReaction ConditionsOperation in experiment
99.2% With hydrogenchloride In water at 65℃; 4) salt [0026] A mixture of 22. lg 3-fluorophenylhydrazine was dissolved in 15.4 ml of 37percent hydrochloric acid and stirred at 65 ° C until the reaction solution was precipitated Crystallization, cooling to 20 ° C, filtration, with acetone leaching filter cake, after drying to be 3-fluorophenylhydrazine hydrochloride products 24. 4g, content 99. 2percent yield of 39. 1percent
Reference: [1] Patent: CN106518716, 2017, A, . Location in patent: Paragraph 0026
  • 2
  • [ 1121-86-4 ]
  • [ 2924-16-5 ]
Reference: [1] Chinese Journal of Chemistry, 2018, vol. 36, # 11, p. 1003 - 1006
  • 3
  • [ 372-19-0 ]
  • [ 2924-16-5 ]
Reference: [1] Archiv der Pharmazie (Weinheim, Germany), 1994, vol. 327, # 2, p. 99 - 104
[2] Bulletin of the Korean Chemical Society, 2010, vol. 31, # 11, p. 3341 - 3347
[3] Bioorganic and Medicinal Chemistry Letters, 2018, vol. 28, # 3, p. 529 - 532
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