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[ CAS No. 1392422-47-7 ]

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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
Excepted Quantity Free
Inaccessible (Haz class 6.1), Domestic USD 41.00
Inaccessible (Haz class 6.1), International USD 64.00
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 83.00
Accessible (Haz class 3, 4, 5 or 8), International USD 133.00
Chemical Structure| 1392422-47-7
Chemical Structure| 1392422-47-7
Structure of 1392422-47-7 * Storage: {[proInfo.prStorage]}
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Product Details of [ 1392422-47-7 ]

CAS No. :1392422-47-7 MDL No. :MFCD29919054
Formula : C36H56N2O2S2Sn2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :850.39 g/mol Pubchem ID :118989018
Synonyms :

Calculated chemistry of of [ 1392422-47-7 ]

Physicochemical Properties

Num. heavy atoms : 44
Num. arom. heavy atoms : 18
Fraction Csp3 : 0.61
Num. rotatable bonds : 16
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 205.18
TPSA : 100.48 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -3.28 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 11.56
Log Po/w (WLOGP) : 9.53
Log Po/w (MLOGP) : 6.15
Log Po/w (SILICOS-IT) : 11.36
Consensus Log Po/w : 7.72

Druglikeness

Lipinski : 2.0
Ghose : None
Veber : 1.0
Egan : 1.0
Muegge : 3.0
Bioavailability Score : 0.17

Water Solubility

Log S (ESOL) : -11.64
Solubility : 0.0000000019 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (Ali) : -13.66
Solubility : 0.0 mg/ml ; 0.0 mol/l
Class : Insoluble
Log S (SILICOS-IT) : -12.39
Solubility : 0.0000000003 mg/ml ; 0.0 mol/l
Class : Insoluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 3.0
Synthetic accessibility : 6.63

Safety of [ 1392422-47-7 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P260-P262-P264-P270-P271-P273-P280-P284-P301+P310+P330-P302+P352+P310-P304+P340+P310-P314-P361+P364-P391-P403+P233-P405-P501 UN#:3146
Hazard Statements:H300+H310+H330-H372-H410 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1392422-47-7 ]

* 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 [ 1392422-47-7 ]
  • Downstream synthetic route of [ 1392422-47-7 ]

[ 1392422-47-7 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 1185885-86-2 ]
  • [ 1066-45-1 ]
  • [ 1392422-47-7 ]
Reference: [1] Journal of Materials Chemistry A, 2014, vol. 2, # 18, p. 6589 - 6597
[2] Journal of Polymer Science, Part A: Polymer Chemistry, 2014, vol. 52, # 16, p. 2356 - 2366
[3] Journal of Materials Chemistry A, 2018, vol. 6, # 42, p. 20904 - 20915
  • 2
  • [ 18908-66-2 ]
  • [ 1392422-47-7 ]
Reference: [1] Journal of Polymer Science, Part A: Polymer Chemistry, 2014, vol. 52, # 16, p. 2356 - 2366
[2] Journal of Materials Chemistry A, 2018, vol. 6, # 42, p. 20904 - 20915
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