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[ CAS No. 14446-24-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14446-24-3
Chemical Structure| 14446-24-3
Structure of 14446-24-3 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14446-24-3 ]

CAS No. :14446-24-3 MDL No. :MFCD01717047
Formula : C9H11NO Boiling Point : -
Linear Structure Formula :- InChI Key :SCMZIFSYPJICCV-UHFFFAOYSA-N
M.W : 149.19 Pubchem ID :26698
Synonyms :
Chemical Name :1,2,3,4-Tetrahydroisoquinolin-6-ol

Calculated chemistry of [ 14446-24-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.33
Num. rotatable bonds : 0
Num. H-bond acceptors : 2.0
Num. H-bond donors : 2.0
Molar Refractivity : 47.81
TPSA : 32.26 ?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) : -6.52 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.52
Log Po/w (XLOGP3) : 0.97
Log Po/w (WLOGP) : 0.51
Log Po/w (MLOGP) : 1.14
Log Po/w (SILICOS-IT) : 1.97
Consensus Log Po/w : 1.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.78
Solubility : 2.48 mg/ml ; 0.0166 mol/l
Class : Very soluble
Log S (Ali) : -1.24
Solubility : 8.68 mg/ml ; 0.0582 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.68
Solubility : 0.309 mg/ml ; 0.00207 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.35

Safety of [ 14446-24-3 ]

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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