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[ CAS No. 2065-67-0 ] {[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+
Chemical Structure| 2065-67-0
Chemical Structure| 2065-67-0
Structure of 2065-67-0 * Storage: {[proInfo.prStorage]}
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Product Details of [ 2065-67-0 ]

CAS No. :2065-67-0 MDL No. :MFCD00011917
Formula : C24H20IP Boiling Point : -
Linear Structure Formula :- InChI Key :AEFPPQGZJFTXDR-UHFFFAOYSA-M
M.W : 466.29 Pubchem ID :2724164
Synonyms :

Calculated chemistry of [ 2065-67-0 ]

Physicochemical Properties

Num. heavy atoms : 26
Num. arom. heavy atoms : 24
Fraction Csp3 : 0.0
Num. rotatable bonds : 4
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 125.24
TPSA : 13.59 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : Yes
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.01 cm/s

Lipophilicity

Log Po/w (iLOGP) : 4.89
Log Po/w (XLOGP3) : 5.82
Log Po/w (WLOGP) : 1.31
Log Po/w (MLOGP) : 6.69
Log Po/w (SILICOS-IT) : 5.79
Consensus Log Po/w : 4.9

Druglikeness

Lipinski : 1.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -6.82
Solubility : 0.0000711 mg/ml ; 0.000000153 mol/l
Class : Poorly soluble
Log S (Ali) : -5.88
Solubility : 0.00062 mg/ml ; 0.00000133 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -10.03
Solubility : 0.0000000436 mg/ml ; 0.0000000001 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 4.33

Safety of [ 2065-67-0 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P280-P301+P312 UN#:2811
Hazard Statements:H301-H311-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2065-67-0 ]

* 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 [ 2065-67-0 ]
  • Downstream synthetic route of [ 2065-67-0 ]

[ 2065-67-0 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 2065-67-0 ]
  • [ 2001-45-8 ]
Reference: [1] Inorganic Chemistry, 2013, vol. 52, # 10, p. 6110 - 6126
[2] Inorganic Chemistry, 2013, vol. 52, # 10, p. 6110 - 6126
[3] Inorganic Chemistry, 2013, vol. 52, # 10, p. 6110 - 6126
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