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[ CAS No. 2170-06-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 2170-06-1
Chemical Structure| 2170-06-1
Structure of 2170-06-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2170-06-1 ]

CAS No. :2170-06-1 MDL No. :MFCD00054860
Formula : C11H14Si Boiling Point : -
Linear Structure Formula :- InChI Key :UZIXCCMXZQWTPB-UHFFFAOYSA-N
M.W : 174.31 Pubchem ID :137464
Synonyms :

Calculated chemistry of [ 2170-06-1 ]

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.27
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.67
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.44 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.9
Log Po/w (XLOGP3) : 4.12
Log Po/w (WLOGP) : 3.0
Log Po/w (MLOGP) : 3.76
Log Po/w (SILICOS-IT) : 1.87
Consensus Log Po/w : 3.13

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.89
Solubility : 0.0226 mg/ml ; 0.00013 mol/l
Class : Soluble
Log S (Ali) : -3.83
Solubility : 0.026 mg/ml ; 0.000149 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.74
Solubility : 0.0316 mg/ml ; 0.000181 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.57

Safety of [ 2170-06-1 ]

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 [ 2170-06-1 ]

* 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 [ 2170-06-1 ]
  • Downstream synthetic route of [ 2170-06-1 ]

[ 2170-06-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 6738-06-3 ]
  • [ 5582-62-7 ]
  • [ 5272-36-6 ]
  • [ 2170-06-1 ]
Reference: [1] Russian Journal of Organic Chemistry, 2001, vol. 37, # 11, p. 1549 - 1552
  • 2
  • [ 1122-91-4 ]
  • [ 2170-06-1 ]
  • [ 57341-98-7 ]
Reference: [1] Advanced Synthesis and Catalysis, 2006, vol. 348, # 15, p. 2101 - 2113
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