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[ CAS No. 32493-78-0 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 32493-78-0
Chemical Structure| 32493-78-0
Chemical Structure| 32493-78-0
Structure of 32493-78-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 32493-78-0 ]

CAS No. :32493-78-0 MDL No. :MFCD26743439
Formula : C5H4Cl2N2 Boiling Point : -
Linear Structure Formula :- InChI Key :IMCQXCPTQKOHCY-UHFFFAOYSA-N
M.W : 163.01 Pubchem ID :12858134
Synonyms :

Calculated chemistry of [ 32493-78-0 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 37.02
TPSA : 25.78 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.8
Log Po/w (XLOGP3) : 2.11
Log Po/w (WLOGP) : 2.09
Log Po/w (MLOGP) : 0.75
Log Po/w (SILICOS-IT) : 2.67
Consensus Log Po/w : 1.88

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.67
Solubility : 0.346 mg/ml ; 0.00212 mol/l
Class : Soluble
Log S (Ali) : -2.28
Solubility : 0.851 mg/ml ; 0.00522 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.26
Solubility : 0.0892 mg/ml ; 0.000547 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.13

Safety of [ 32493-78-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H320-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 32493-78-0 ]

* 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.

  • Downstream synthetic route of [ 32493-78-0 ]

[ 32493-78-0 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 137-07-5 ]
  • [ 32493-78-0 ]
  • [ 84370-03-6 ]
  • 3
  • [ 32493-78-0 ]
  • [ 84370-08-1 ]
  • 4
  • [ 110-91-8 ]
  • [ 32493-78-0 ]
  • 2-chloro-3-morpholinyl-5-methyl-pyrazine [ No CAS ]
YieldReaction ConditionsOperation in experiment
2-Chloro-3-morpholinyl-5-methyl-pyrazine, used as the starting material, can be prepared as follows: 16.3 g of <strong>[32493-78-0]2,3-dichloro-5-methyl-pyrazine</strong> and 100 ml of morpholine are warmed to 100 C. for 6 hours. The reaction mixture is then diluted with 200 ml of ether and again extracted by shaking with water. The ether phase is dried over sodium sulphate and evaporated in a waterpump vacuum. The residue is distilled in a waterpump vacuum. 2-Chloro-3-morpholinyl-5-methyl-pyrazine, boiling point 166-167 C./15 mm Hg, is thus obtained.
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