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[ CAS No. 26059-40-5 ] 2-(2-Iodophenyl)ethan-1-ol

Cat. No.: A146240
Chemical Structure| 26059-40-5
Chemical Structure| 26059-40-5
Structure of 26059-40-5 * Storage: Keep in dark place,Sealed in dry,2-8°C
Purity Size Price USA Stock *0-1 Day Global Stock *5-7 Days Quantity
95% 100mg $23.00 Inquiry Inquiry
95% 250mg $28.00 Inquiry Inquiry
95% 1g $86.00 Inquiry Inquiry
95% 5g $374.00 Inquiry Inquiry

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* Storage: Keep in dark place,Sealed in dry,2-8°C

* Shipping: Normal

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Product Details of [ 26059-40-5 ]

CAS No. :26059-40-5 MDL No. :MFCD12031769
Formula : C8H9IO Boiling Point : -
Linear Structure Formula :- InChI Key :WUQBSMKQSLCUFC-UHFFFAOYSA-N
M.W : 248.06 Pubchem ID :11064750
Synonyms :

Calculated chemistry of [ 26059-40-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 2
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 50.09
TPSA : 20.23 Ų

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) : -6.29 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.96
Log Po/w (XLOGP3) : 2.15
Log Po/w (WLOGP) : 1.83
Log Po/w (MLOGP) : 2.76
Log Po/w (SILICOS-IT) : 2.97
Consensus Log Po/w : 2.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.04
Solubility : 0.224 mg/ml ; 0.000903 mol/l
Class : Soluble
Log S (Ali) : -2.21
Solubility : 1.54 mg/ml ; 0.00621 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.59
Solubility : 0.0642 mg/ml ; 0.000259 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.54

Safety of [ 26059-40-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 26059-40-5 ]

* 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 [ 26059-40-5 ]
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