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[ CAS No. 3069-25-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 3069-25-8
Chemical Structure| 3069-25-8
Structure of 3069-25-8 * Storage: {[proInfo.prStorage]}

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Product Details of [ 3069-25-8 ]

CAS No. :3069-25-8 MDL No. :MFCD00048021
Formula : C7H19NO3Si Boiling Point : -
Linear Structure Formula :(H3CO)3Si(CH2)3NH(CH3) InChI Key :DVYVMJLSUSGYMH-UHFFFAOYSA-N
M.W : 193.32 Pubchem ID :76480
Synonyms :
Chemical Name :N-Methyl-3-(trimethoxysilyl)propan-1-amine

Calculated chemistry of [ 3069-25-8 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 1.0
Num. rotatable bonds : 7
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 49.69
TPSA : 39.72 ?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) : -7.06 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.68
Log Po/w (XLOGP3) : 0.59
Log Po/w (WLOGP) : 0.47
Log Po/w (MLOGP) : -0.77
Log Po/w (SILICOS-IT) : -0.93
Consensus Log Po/w : 0.41

Druglikeness

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

Water Solubility

Log S (ESOL) : -0.95
Solubility : 21.8 mg/ml ; 0.113 mol/l
Class : Very soluble
Log S (Ali) : -1.0
Solubility : 19.4 mg/ml ; 0.101 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.02
Solubility : 1.83 mg/ml ; 0.00946 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.57

Safety of [ 3069-25-8 ]

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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