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[ CAS No. 43112-38-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Excepted Quantity USD 0.00
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Chemical Structure| 43112-38-5
Chemical Structure| 43112-38-5
Structure of 43112-38-5 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 43112-38-5 ]

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Product Details of [ 43112-38-5 ]

CAS No. :43112-38-5 MDL No. :MFCD00010197
Formula : C6H13NO2Si Boiling Point : -
Linear Structure Formula :- InChI Key :AUKCYOUETBBMFV-UHFFFAOYSA-N
M.W : 159.26 Pubchem ID :123514
Synonyms :

Calculated chemistry of [ 43112-38-5 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.83
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 45.19
TPSA : 29.54 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) : -6.33 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.01
Log Po/w (XLOGP3) : 1.32
Log Po/w (WLOGP) : 0.89
Log Po/w (MLOGP) : 0.41
Log Po/w (SILICOS-IT) : -0.62
Consensus Log Po/w : 0.8

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.59
Solubility : 4.07 mg/ml ; 0.0255 mol/l
Class : Very soluble
Log S (Ali) : -1.54
Solubility : 4.58 mg/ml ; 0.0288 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -0.93
Solubility : 18.8 mg/ml ; 0.118 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.67

Safety of [ 43112-38-5 ]

Signal Word:Danger Class:3
Precautionary Statements:P210-P280-P370+P378-P403+P235-P501 UN#:1993
Hazard Statements:H225 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 43112-38-5 ]

* 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 [ 43112-38-5 ]
  • Downstream synthetic route of [ 43112-38-5 ]

[ 43112-38-5 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 43112-38-5 ]
  • [ 141-82-2 ]
  • [ 18457-04-0 ]
Reference: [1] Synthesis, 1981, # 10, p. 809 - 811
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