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[ CAS No. 22353-34-0 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 22353-34-0
Chemical Structure| 22353-34-0
Structure of 22353-34-0 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 22353-34-0 ]

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Product Details of [ 22353-34-0 ]

CAS No. :22353-34-0 MDL No. :MFCD03701386
Formula : C5H5ClN2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :ZHMASVAJFJFFLS-UHFFFAOYSA-N
M.W : 128.56 Pubchem ID :818257
Synonyms :
Chemical Name :5-Chloropyridin-3-amine

Calculated chemistry of [ 22353-34-0 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 33.65
TPSA : 38.91 ?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) : -6.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.13
Log Po/w (XLOGP3) : 1.25
Log Po/w (WLOGP) : 1.33
Log Po/w (MLOGP) : 0.4
Log Po/w (SILICOS-IT) : 1.37
Consensus Log Po/w : 1.09

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.98
Solubility : 1.35 mg/ml ; 0.0105 mol/l
Class : Very soluble
Log S (Ali) : -1.67
Solubility : 2.78 mg/ml ; 0.0216 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.24
Solubility : 0.735 mg/ml ; 0.00571 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.39

Safety of [ 22353-34-0 ]

Signal Word:Warning Class:
Precautionary Statements:P280-P305+P351+P338 UN#:
Hazard Statements:H302 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 22353-34-0 ]

* 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 [ 22353-34-0 ]
  • Downstream synthetic route of [ 22353-34-0 ]

[ 22353-34-0 ] Synthesis Path-Upstream   1~5

  • 1
  • [ 2457-47-8 ]
  • [ 22353-34-0 ]
Reference: [1] Roczniki Chemii, 1938, vol. 18, p. 39,41[2] Chemisches Zentralblatt, 1939, vol. 110, # I, p. 1366
  • 2
  • [ 22353-33-9 ]
  • [ 22353-34-0 ]
Reference: [1] Roczniki Chemii, 1938, vol. 18, p. 210[2] Chemisches Zentralblatt, 1939, vol. 110, # II, p. 2779
  • 3
  • [ 626-60-8 ]
  • [ 22353-34-0 ]
Reference: [1] Roczniki Chemii, 1938, vol. 18, p. 210[2] Chemisches Zentralblatt, 1939, vol. 110, # II, p. 2779
  • 4
  • [ 117830-18-9 ]
  • [ 22353-34-0 ]
Reference: [1] Chemische Berichte, 1928, vol. 61, p. 2214
  • 5
  • [ 64-17-5 ]
  • [ 2457-47-8 ]
  • [ 7664-41-7 ]
  • [ 7758-99-8 ]
  • [ 22353-34-0 ]
Reference: [1] Roczniki Chemii, 1938, vol. 18, p. 39,41[2] Chemisches Zentralblatt, 1939, vol. 110, # I, p. 1366
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