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[ CAS No. 80673-00-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 80673-00-3
Chemical Structure| 80673-00-3
Structure of 80673-00-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 80673-00-3 ]

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Product Details of [ 80673-00-3 ]

CAS No. :80673-00-3 MDL No. :MFCD01863744
Formula : C10H13NSi Boiling Point : -
Linear Structure Formula :C5NH4CCSi(CH3)3 InChI Key :MTMBLPOPETZZRX-UHFFFAOYSA-N
M.W : 175.30 Pubchem ID :4100857
Synonyms :

Calculated chemistry of [ 80673-00-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.3
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 54.46
TPSA : 12.89 ?2

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) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.56
Log Po/w (XLOGP3) : 3.05
Log Po/w (WLOGP) : 2.39
Log Po/w (MLOGP) : 2.01
Log Po/w (SILICOS-IT) : 1.33
Consensus Log Po/w : 2.27

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.106 mg/ml ; 0.000605 mol/l
Class : Soluble
Log S (Ali) : -2.99
Solubility : 0.181 mg/ml ; 0.00103 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.37
Solubility : 0.0748 mg/ml ; 0.000427 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.58

Safety of [ 80673-00-3 ]

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:
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Technical Information

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Related Parent Nucleus of
[ 80673-00-3 ]

Pyridines

Chemical Structure| 133810-35-2

[ 133810-35-2 ]

4-[(Trimethylsilyl)ethynyl]pyridine

Similarity: 0.88

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