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[ CAS No. 24662-37-1 ] {[proInfo.proName]}

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Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
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3d Animation Molecule Structure of 24662-37-1
Chemical Structure| 24662-37-1
Chemical Structure| 24662-37-1
Structure of 24662-37-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 24662-37-1 ]

CAS No. :24662-37-1 MDL No. :MFCD00466602
Formula : C10H8N2 Boiling Point : -
Linear Structure Formula :- InChI Key :FBAXZPMXGBNBPE-UHFFFAOYSA-N
M.W : 156.18 Pubchem ID :2307681
Synonyms :

Calculated chemistry of [ 24662-37-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.1
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 47.92
TPSA : 28.72 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) : -5.85 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.98
Log Po/w (XLOGP3) : 1.98
Log Po/w (WLOGP) : 2.05
Log Po/w (MLOGP) : 1.18
Log Po/w (SILICOS-IT) : 1.91
Consensus Log Po/w : 1.82

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.61
Solubility : 0.383 mg/ml ; 0.00245 mol/l
Class : Soluble
Log S (Ali) : -2.21
Solubility : 0.965 mg/ml ; 0.00618 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.92
Solubility : 0.189 mg/ml ; 0.00121 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.48

Safety of [ 24662-37-1 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310-P305+P351+P338 UN#:2811
Hazard Statements:H301-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 24662-37-1 ]

* 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 [ 24662-37-1 ]
  • Downstream synthetic route of [ 24662-37-1 ]

[ 24662-37-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 24662-37-1 ]
  • [ 118959-44-7 ]
Reference: [1] Pharmaceutical Chemistry Journal, 1988, vol. 22, # 10, p. 765 - 769[2] Khimiko-Farmatsevticheskii Zhurnal, 1988, vol. 22, # 10, p. 1203 - 1207
[3] Bioorganic and Medicinal Chemistry Letters, 2006, vol. 16, # 9, p. 2535 - 2538
[4] Journal of medicinal chemistry, 1991, vol. 34, # 1, p. 140 - 151
  • 2
  • [ 390799-61-8 ]
  • [ 32387-21-6 ]
  • [ 118959-44-7 ]
  • [ 24662-37-1 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 2, 2001, # 10, p. 1989 - 1997
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