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[ CAS No. 27582-24-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 27582-24-7
Chemical Structure| 27582-24-7
Structure of 27582-24-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 27582-24-7 ]

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Product Details of [ 27582-24-7 ]

CAS No. :27582-24-7 MDL No. :MFCD07440139
Formula : C7H7N3 Boiling Point : No data available
Linear Structure Formula :- InChI Key :IANINCNCSTYFSO-UHFFFAOYSA-N
M.W : 133.15 Pubchem ID :7147160
Synonyms :

Calculated chemistry of [ 27582-24-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.85
TPSA : 41.57 ?2

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) : -6.3 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.92
Log Po/w (XLOGP3) : 1.15
Log Po/w (WLOGP) : 1.27
Log Po/w (MLOGP) : 0.51
Log Po/w (SILICOS-IT) : 2.03
Consensus Log Po/w : 1.17

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.06
Solubility : 1.17 mg/ml ; 0.00879 mol/l
Class : Soluble
Log S (Ali) : -1.62
Solubility : 3.21 mg/ml ; 0.0241 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.89
Solubility : 0.171 mg/ml ; 0.00129 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.46

Safety of [ 27582-24-7 ]

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

Application In Synthesis of [ 27582-24-7 ]

* 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 [ 27582-24-7 ]

[ 27582-24-7 ] Synthesis Path-Downstream   1~9

  • 1
  • [ 33259-72-2 ]
  • [ 50-00-0 ]
  • [ 27582-24-7 ]
  • 2
  • 7-chloro-5-methyl-1(3)<i>H</i>-imidazo[4,5-<i>b</i>]pyridine; hydrochloride [ No CAS ]
  • [ 27582-24-7 ]
  • 3
  • [ 28279-41-6 ]
  • [ 27582-24-7 ]
  • 8
  • [ 27582-24-7 ]
  • copper(II) nitrate [ No CAS ]
  • Cu(5-methylpyridol[2,3-d]imidazole)3(NO3)2 hydrate [ No CAS ]
  • 9
  • [ 27582-24-7 ]
  • copper dichloride [ No CAS ]
  • Cu(5-methylpyridol[2,3-d]imidazole)3Cl2 hydrate [ No CAS ]
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