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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 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| 1392422-47-7
Chemical Structure| 1392422-47-7
Structure of 1392422-47-7 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 1392422-47-7 ]

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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 :TXZZSZDCOCQKCS-UHFFFAOYSA-N
M.W :850.39 g/mol Pubchem ID :118989018
Synonyms :

Calculated chemistry 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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