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[ CAS No. 143390-49-2 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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There will be a HazMat fee per item when shipping a dangerous goods. The HazMat fee will be charged to your UPS/DHL/FedEx collect account or added to the invoice unless the package is shipped via Ground service. Ship by air in Excepted Quantity (each bottle), which is up to 1g/1mL for class 6.1 packing group I or II, and up to 25g/25ml for all other HazMat items.

Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
Limited Quantity USD 15-60
Inaccessible (Haz class 6.1), Domestic USD 80+
Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
Accessible (Haz class 3, 4, 5 or 8), International USD 200+
3d Animation Molecule Structure of 143390-49-2
Chemical Structure| 143390-49-2
Chemical Structure| 143390-49-2
Structure of 143390-49-2 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 143390-49-2 ]

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Alternatived Products of [ 143390-49-2 ]

Product Details of [ 143390-49-2 ]

CAS No. :143390-49-2 MDL No. :MFCD08703142
Formula : C11H14INO2 Boiling Point : -
Linear Structure Formula :- InChI Key :MPCQRNOVFYBCTQ-UHFFFAOYSA-N
M.W :319.14 Pubchem ID :12990980
Synonyms :

Calculated chemistry of [ 143390-49-2 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.36
Num. rotatable bonds : 4
Num. H-bond acceptors : 2.0
Num. H-bond donors : 1.0
Molar Refractivity : 69.4
TPSA : 38.33 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.4 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.81
Log Po/w (XLOGP3) : 4.01
Log Po/w (WLOGP) : 3.45
Log Po/w (MLOGP) : 3.19
Log Po/w (SILICOS-IT) : 2.63
Consensus Log Po/w : 3.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.38
Solubility : 0.0134 mg/ml ; 0.000042 mol/l
Class : Moderately soluble
Log S (Ali) : -4.52
Solubility : 0.0097 mg/ml ; 0.0000304 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -4.28
Solubility : 0.0168 mg/ml ; 0.0000527 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.45

Safety of [ 143390-49-2 ]

Signal Word:Danger Class:9
Precautionary Statements:P501-P273-P260-P270-P264-P280-P391-P314-P337+P313-P305+P351+P338-P301+P312+P330 UN#:3077
Hazard Statements:H302-H319-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 143390-49-2 ]

* 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.

  • Upstream synthesis route of [ 143390-49-2 ]
  • Downstream synthetic route of [ 143390-49-2 ]

[ 143390-49-2 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 143390-49-2 ]
  • [ 185619-66-3 ]
Reference: [1] Tetrahedron, 1998, vol. 54, # 33, p. 9823 - 9836
[2] Chemical Communications, 1996, # 23, p. 2647 - 2648
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