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[ CAS No. 7275-43-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 7275-43-6
Chemical Structure| 7275-43-6
Structure of 7275-43-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 7275-43-6 ]

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Product Details of [ 7275-43-6 ]

CAS No. :7275-43-6 MDL No. :MFCD00065169
Formula : C10H8N2O2 Boiling Point : No data available
Linear Structure Formula :- InChI Key :FERMVCULDZOVOJ-UHFFFAOYSA-N
M.W : 188.18 Pubchem ID :23699
Synonyms :

Calculated chemistry of [ 7275-43-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 12
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.2
TPSA : 50.92 ?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) : -7.81 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.02
Log Po/w (XLOGP3) : -0.51
Log Po/w (WLOGP) : 0.62
Log Po/w (MLOGP) : 1.34
Log Po/w (SILICOS-IT) : -0.15
Consensus Log Po/w : 0.47

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.25
Solubility : 10.5 mg/ml ; 0.0558 mol/l
Class : Very soluble
Log S (Ali) : -0.09
Solubility : 153.0 mg/ml ; 0.81 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -1.38
Solubility : 7.88 mg/ml ; 0.0419 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.36

Safety of [ 7275-43-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 7275-43-6 ]

* 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 [ 7275-43-6 ]

[ 7275-43-6 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 7275-43-6 ]
  • [ 17217-57-1 ]
  • 2
  • [ 7275-43-6 ]
  • [ 13469-98-2 ]
  • Y(3+)*3Br(1-)*2C10H8N2O2*6H2O=YBr3*2C10H8N2O2*6H2O [ No CAS ]
  • 3
  • [ 7275-43-6 ]
  • [ 13469-98-2 ]
  • Y(3+)*3Br(1-)*C10H8N2O2*8H2O=YBr3*C10H8N2O2*8H2O [ No CAS ]
  • 4
  • [ 7275-43-6 ]
  • [ 13469-98-2 ]
  • Y(3+)*3Br(1-)*4C10H8N2O2*2H2O=YBr3*4C10H8N2O2*2H2O [ No CAS ]
  • 5
  • [ 7275-43-6 ]
  • [ 13469-98-2 ]
  • Y(3+)*3Br(1-)*3C10H8N2O2*2H2O=YBr3*3C10H8N2O2*2H2O [ No CAS ]
  • 6
  • [ 7275-43-6 ]
  • [ 99970-84-0 ]
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