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[ CAS No. 767-60-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 767-60-2
Chemical Structure| 767-60-2
Structure of 767-60-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 767-60-2 ]

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Product Details of [ 767-60-2 ]

CAS No. :767-60-2 MDL No. :MFCD00674487
Formula : C10H10 Boiling Point : -
Linear Structure Formula :- InChI Key :COOKKJGOGWACMY-UHFFFAOYSA-N
M.W : 130.19 Pubchem ID :13025
Synonyms :

Calculated chemistry of [ 767-60-2 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.2
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.19
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
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) : -5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.24
Log Po/w (XLOGP3) : 2.63
Log Po/w (WLOGP) : 2.65
Log Po/w (MLOGP) : 3.99
Log Po/w (SILICOS-IT) : 3.2
Consensus Log Po/w : 2.94

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.75
Solubility : 0.233 mg/ml ; 0.00179 mol/l
Class : Soluble
Log S (Ali) : -2.28
Solubility : 0.683 mg/ml ; 0.00524 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.33
Solubility : 0.0612 mg/ml ; 0.00047 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.47

Safety of [ 767-60-2 ]

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

Application In Synthesis of [ 767-60-2 ]

* 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 [ 767-60-2 ]
  • Downstream synthetic route of [ 767-60-2 ]

[ 767-60-2 ] Synthesis Path-Upstream   1~7

  • 1
  • [ 767-59-9 ]
  • [ 2177-47-1 ]
  • [ 767-60-2 ]
Reference: [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
[2] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
  • 2
  • [ 767-60-2 ]
  • [ 2177-47-1 ]
  • [ 767-59-9 ]
Reference: [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
[2] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
  • 3
  • [ 767-59-9 ]
  • [ 2177-47-1 ]
  • [ 767-60-2 ]
  • [ 95-13-6 ]
Reference: [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
  • 4
  • [ 767-60-2 ]
  • [ 2177-47-1 ]
  • [ 767-59-9 ]
  • [ 95-13-6 ]
Reference: [1] Journal of the American Chemical Society, 1989, vol. 111, # 16, p. 6384 - 6391
  • 5
  • [ 496-11-7 ]
  • [ 91-20-3 ]
  • [ 447-53-0 ]
  • [ 2177-47-1 ]
  • [ 767-60-2 ]
  • [ 108-88-3 ]
  • [ 95-13-6 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1981, vol. 323, # 4, p. 607 - 615
  • 6
  • [ 824-63-5 ]
  • [ 91-20-3 ]
  • [ 447-53-0 ]
  • [ 2177-47-1 ]
  • [ 767-60-2 ]
  • [ 108-88-3 ]
  • [ 95-13-6 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1981, vol. 323, # 4, p. 607 - 615
  • 7
  • [ 119-64-2 ]
  • [ 124-18-5 ]
  • [ 292638-84-7 ]
  • [ 91-20-3 ]
  • [ 447-53-0 ]
  • [ 2177-47-1 ]
  • [ 767-60-2 ]
  • [ 95-13-6 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1981, vol. 323, # 4, p. 607 - 615
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