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[ CAS No. 25309-64-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 25309-64-2
Chemical Structure| 25309-64-2
Structure of 25309-64-2 * Storage: {[proInfo.prStorage]}

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Product Details of [ 25309-64-2 ]

CAS No. :25309-64-2 MDL No. :MFCD00060663
Formula : C8H9I Boiling Point : No data available
Linear Structure Formula :- InChI Key :OOLSRHZMXAYDFB-UHFFFAOYSA-N
M.W : 232.06 Pubchem ID :141189
Synonyms :

Calculated chemistry of [ 25309-64-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 1
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 48.93
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -4.93 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.45
Log Po/w (XLOGP3) : 3.92
Log Po/w (WLOGP) : 2.85
Log Po/w (MLOGP) : 3.83
Log Po/w (SILICOS-IT) : 3.61
Consensus Log Po/w : 3.33

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.18
Solubility : 0.0155 mg/ml ; 0.0000667 mol/l
Class : Moderately soluble
Log S (Ali) : -3.62
Solubility : 0.0558 mg/ml ; 0.00024 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.15
Solubility : 0.0166 mg/ml ; 0.0000714 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 1.6

Safety of [ 25309-64-2 ]

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

Application In Synthesis of [ 25309-64-2 ]

* 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 [ 25309-64-2 ]
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