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[ CAS No. 112-43-6 ] {[proInfo.proName]}

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Chemical Structure| 112-43-6
Chemical Structure| 112-43-6
Structure of 112-43-6 * Storage: {[proInfo.prStorage]}

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Product Details of [ 112-43-6 ]

CAS No. :112-43-6 MDL No. :MFCD00004750
Formula : C11H22O Boiling Point : No data available
Linear Structure Formula :- InChI Key :GIEMHYCMBGELGY-UHFFFAOYSA-N
M.W : 170.29 Pubchem ID :8185
Synonyms :
Chemical Name :10-Undecen-1-ol

Calculated chemistry of [ 112-43-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.82
Num. rotatable bonds : 9
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 55.68
TPSA : 20.23 ?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) : -4.26 cm/s

Lipophilicity

Log Po/w (iLOGP) : 3.1
Log Po/w (XLOGP3) : 4.34
Log Po/w (WLOGP) : 3.29
Log Po/w (MLOGP) : 2.99
Log Po/w (SILICOS-IT) : 3.44
Consensus Log Po/w : 3.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.157 mg/ml ; 0.00092 mol/l
Class : Soluble
Log S (Ali) : -4.48
Solubility : 0.00564 mg/ml ; 0.0000331 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.39
Solubility : 0.0697 mg/ml ; 0.000409 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 1.95

Safety of [ 112-43-6 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
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