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[ CAS No. 274-49-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 274-49-7
Chemical Structure| 274-49-7
Chemical Structure| 274-49-7
Structure of 274-49-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 274-49-7 ]

CAS No. :274-49-7 MDL No. :MFCD09263928
Formula : C6H5N3 Boiling Point : -
Linear Structure Formula :- InChI Key :MIFJMFOVENWQDP-UHFFFAOYSA-N
M.W :119.12 Pubchem ID :292283
Synonyms :

Calculated chemistry of [ 274-49-7 ]

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 32.99
TPSA : 30.19 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) : -6.47 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.33
Log Po/w (XLOGP3) : 0.78
Log Po/w (WLOGP) : 0.73
Log Po/w (MLOGP) : -0.52
Log Po/w (SILICOS-IT) : 0.58
Consensus Log Po/w : 0.58

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.81
Solubility : 1.85 mg/ml ; 0.0155 mol/l
Class : Very soluble
Log S (Ali) : -0.99
Solubility : 12.1 mg/ml ; 0.101 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.66
Solubility : 2.59 mg/ml ; 0.0218 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.6

Safety of [ 274-49-7 ]

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 [ 274-49-7 ]

* 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.

  • Downstream synthetic route of [ 274-49-7 ]

[ 274-49-7 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 106-49-0 ]
  • [ 274-49-7 ]
  • 6-(p-tolyl)imidazo[1,5-a]pyrazine [ No CAS ]
  • 5-(p-tolyl)imidazo[1,5-a]pyrazine [ No CAS ]
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