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[ CAS No. 14062-19-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 14062-19-2
Chemical Structure| 14062-19-2
Structure of 14062-19-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 14062-19-2 ]

CAS No. :14062-19-2 MDL No. :MFCD00009181
Formula : C11H14O2 Boiling Point : No data available
Linear Structure Formula :CH3C6H4CH2COOC2H5 InChI Key :BTRGZBIXPLFVNK-UHFFFAOYSA-N
M.W : 178.23 Pubchem ID :84175
Synonyms :

Calculated chemistry of [ 14062-19-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 52.08
TPSA : 26.3 ?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) : -5.51 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.15
Log Po/w (XLOGP3) : 2.64
Log Po/w (WLOGP) : 2.1
Log Po/w (MLOGP) : 2.58
Log Po/w (SILICOS-IT) : 2.88
Consensus Log Po/w : 2.47

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.69
Solubility : 0.367 mg/ml ; 0.00206 mol/l
Class : Soluble
Log S (Ali) : -2.84
Solubility : 0.256 mg/ml ; 0.00144 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.67
Solubility : 0.0383 mg/ml ; 0.000215 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.57

Safety of [ 14062-19-2 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 14062-19-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 14062-19-2 ]
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