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[ CAS No. 3027-21-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3027-21-2
Chemical Structure| 3027-21-2
Structure of 3027-21-2 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 3027-21-2 ]

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Product Details of [ 3027-21-2 ]

CAS No. :3027-21-2 MDL No. :MFCD00008343
Formula : C9H14O2Si Boiling Point : -
Linear Structure Formula :- InChI Key :CVQVSVBUMVSJES-UHFFFAOYSA-N
M.W : 182.29 Pubchem ID :18193
Synonyms :

Calculated chemistry of [ 3027-21-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 3
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 51.59
TPSA : 18.46 ?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) : -5.72 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.62
Log Po/w (XLOGP3) : 2.38
Log Po/w (WLOGP) : 1.26
Log Po/w (MLOGP) : 1.26
Log Po/w (SILICOS-IT) : 0.56
Consensus Log Po/w : 1.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.64
Solubility : 0.416 mg/ml ; 0.00228 mol/l
Class : Soluble
Log S (Ali) : -2.41
Solubility : 0.712 mg/ml ; 0.0039 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.14
Solubility : 0.131 mg/ml ; 0.000719 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.72

Safety of [ 3027-21-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P305+P351+P338 UN#:N/A
Hazard Statements:H227-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 3027-21-2 ]

* 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.

  • Downstream synthetic route of [ 3027-21-2 ]

[ 3027-21-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1185-55-3 ]
  • phenylmagnesium bromide [ No CAS ]
  • [ 3027-21-2 ]
  • 2
  • [ 3027-21-2 ]
  • [ 703-55-9 ]
  • [ 1025-08-7 ]
  • [ 1025-09-8 ]
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