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[ CAS No. 2510-22-7 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 2510-22-7
Chemical Structure| 2510-22-7
Chemical Structure| 2510-22-7
Structure of 2510-22-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2510-22-7 ]

CAS No. :2510-22-7 MDL No. :MFCD04038420
Formula : C7H5N Boiling Point : -
Linear Structure Formula :- InChI Key :FDEDJRHULYIJOR-UHFFFAOYSA-N
M.W :103.12 Pubchem ID :642801
Synonyms :

Calculated chemistry of [ 2510-22-7 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 32.17
TPSA : 12.89 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) : -6.15 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.83
Log Po/w (XLOGP3) : 1.1
Log Po/w (WLOGP) : 1.14
Log Po/w (MLOGP) : 1.05
Log Po/w (SILICOS-IT) : 2.01
Consensus Log Po/w : 1.43

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -1.73
Solubility : 1.93 mg/ml ; 0.0187 mol/l
Class : Very soluble
Log S (Ali) : -0.96
Solubility : 11.2 mg/ml ; 0.109 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.03
Solubility : 0.956 mg/ml ; 0.00927 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 2510-22-7 ]

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 [ 2510-22-7 ]

* 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.

  • Upstream synthesis route of [ 2510-22-7 ]
  • Downstream synthetic route of [ 2510-22-7 ]

[ 2510-22-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 2510-22-7 ]
  • [ 15854-87-2 ]
  • [ 73564-69-9 ]
Reference: [1] Chemistry - A European Journal, 2011, vol. 17, # 25, p. 7032 - 7040
[2] Tetrahedron Letters, 1999, vol. 40, # 29, p. 5413 - 5416
  • 2
  • [ 2510-22-7 ]
  • [ 19524-06-2 ]
  • [ 73564-69-9 ]
Reference: [1] Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1995, # 18, p. 2275 - 2280
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