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[ CAS No. 2434-56-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 2434-56-2
Chemical Structure| 2434-56-2
Chemical Structure| 2434-56-2
Structure of 2434-56-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2434-56-2 ]

CAS No. :2434-56-2 MDL No. :MFCD00044572
Formula : C4H6N4 Boiling Point : -
Linear Structure Formula :- InChI Key :MISVBCMQSJUHMH-UHFFFAOYSA-N
M.W : 110.12 Pubchem ID :79608
Synonyms :

Calculated chemistry of [ 2434-56-2 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 30.84
TPSA : 77.82 Ų

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) : -7.32 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.59
Log Po/w (XLOGP3) : -0.49
Log Po/w (WLOGP) : -0.34
Log Po/w (MLOGP) : -0.9
Log Po/w (SILICOS-IT) : -0.37
Consensus Log Po/w : -0.3

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.77
Solubility : 18.7 mg/ml ; 0.17 mol/l
Class : Very soluble
Log S (Ali) : -0.68
Solubility : 23.2 mg/ml ; 0.21 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.87
Solubility : 14.8 mg/ml ; 0.134 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.5

Safety of [ 2434-56-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338-P310 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 2434-56-2 ]

* 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 [ 2434-56-2 ]
  • Downstream synthetic route of [ 2434-56-2 ]

[ 2434-56-2 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 1073-99-0 ]
  • [ 2434-56-2 ]
  • [ 118-70-7 ]
Reference: [1] Patent: US5541175, 1996, A,
  • 2
  • [ 40070-06-2 ]
  • [ 2434-56-2 ]
YieldReaction ConditionsOperation in experiment
100% With hydrogenchloride In water at -5℃; for 0.5 h; A solution of 250 mL of 11.5 mol / L hydrochloric acid was added to step 24,6-diamino-2-sulfite pyrimidine filter cake, cooled to -5 ° C and stirred for 0.5 h.The yield is 100percent.
Reference: [1] Patent: CN103709164, 2016, B, . Location in patent: Paragraph 0034; 0090; 0105; 0108
[2] Journal of the Chemical Society, 1946, p. 4106,4109
[3] Journal of the Chemical Society, 1946, p. 4106,4109
  • 3
  • [ 60-29-7 ]
  • [ 1004-39-3 ]
  • [ 2434-56-2 ]
Reference: [1] Patent: US5541175, 1996, A,
[2] Patent: EP643061, 1995, A1,
  • 4
  • [ 1004-39-3 ]
  • [ 2434-56-2 ]
Reference: [1] Journal of the American Chemical Society, 1950, vol. 72, p. 2587,2593
[2] Journal of the Society of Chemical Industry, London, 1950, vol. 69, p. 353
  • 5
  • [ 333-49-3 ]
  • [ 163133-86-6 ]
  • [ 2434-56-2 ]
Reference: [1] Patent: US5541175, 1996, A,
  • 6
  • [ 1073-99-0 ]
  • [ 2434-56-2 ]
  • [ 118-70-7 ]
Reference: [1] Patent: US5541175, 1996, A,
  • 7
  • [ 1193-21-1 ]
  • [ 2434-56-2 ]
Reference: [1] Journal of the Chemical Society, 1943, p. 574
  • 8
  • [ 15535-93-0 ]
  • [ 109-94-4 ]
  • [ 2434-56-2 ]
Reference: [1] Journal of the Chemical Society, 1943, p. 574
  • 9
  • [ 53557-69-0 ]
  • [ 7664-41-7 ]
  • [ 2434-56-2 ]
Reference: [1] Chemische Berichte, 1903, vol. 36, p. 2234
  • 10
  • [ 67-56-1 ]
  • [ 15535-93-0 ]
  • [ 109-94-4 ]
  • [ 2434-56-2 ]
Reference: [1] Journal of the Chemical Society, 1943, p. 574
[2] Journal of the Chemical Society, 1944, p. 477
  • 11
  • [ 2434-56-2 ]
  • [ 2164-84-3 ]
Reference: [1] Journal of the Society of Chemical Industry, London, 1950, vol. 69, p. 353
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