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[ CAS No. 13732-00-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 13732-00-8
Chemical Structure| 13732-00-8
Structure of 13732-00-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 13732-00-8 ]

CAS No. :13732-00-8 MDL No. :MFCD00156431
Formula : C9H18O4Si Boiling Point : -
Linear Structure Formula :- InChI Key :MCDBEBOBROAQSH-UHFFFAOYSA-N
M.W : 218.32 Pubchem ID :2756289
Synonyms :

Calculated chemistry of [ 13732-00-8 ]

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.67
Num. rotatable bonds : 8
Num. H-bond acceptors : 4.0
Num. H-bond donors : 0.0
Molar Refractivity : 56.23
TPSA : 44.76 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) : -6.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.95
Log Po/w (XLOGP3) : 1.91
Log Po/w (WLOGP) : 1.47
Log Po/w (MLOGP) : 0.44
Log Po/w (SILICOS-IT) : 0.18
Consensus Log Po/w : 1.39

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.87
Solubility : 2.95 mg/ml ; 0.0135 mol/l
Class : Very soluble
Log S (Ali) : -2.47
Solubility : 0.734 mg/ml ; 0.00336 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.98
Solubility : 2.27 mg/ml ; 0.0104 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 3.38

Safety of [ 13732-00-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P501-P210-P264-P280-P370+P378-P337+P313-P305+P351+P338-P302+P352-P332+P313-P362-P403+P235 UN#:N/A
Hazard Statements:H315-H319-H227 Packing Group:N/A
GHS Pictogram:
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