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[ CAS No. 882257-11-6 ] {[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| 882257-11-6
Chemical Structure| 882257-11-6
Structure of 882257-11-6 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 882257-11-6 ]

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Alternatived Products of [ 882257-11-6 ]

Product Details of [ 882257-11-6 ]

CAS No. :882257-11-6 MDL No. :
Formula : C12H7Cl2NO3S2 Boiling Point : -
Linear Structure Formula :- InChI Key :LKZLGMAAKNEGCH-UHFFFAOYSA-N
M.W : 348.22 Pubchem ID :2819993
Synonyms :

Calculated chemistry of [ 882257-11-6 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 11
Fraction Csp3 : 0.08
Num. rotatable bonds : 4
Num. H-bond acceptors : 3.0
Num. H-bond donors : 0.0
Molar Refractivity : 83.92
TPSA : 116.43 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -4.8 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.39
Log Po/w (XLOGP3) : 5.11
Log Po/w (WLOGP) : 5.32
Log Po/w (MLOGP) : 2.8
Log Po/w (SILICOS-IT) : 3.73
Consensus Log Po/w : 3.87

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.36
Solubility : 0.00152 mg/ml ; 0.00000435 mol/l
Class : Moderately soluble
Log S (Ali) : -7.3
Solubility : 0.0000175 mg/ml ; 0.0000000502 mol/l
Class : Poorly soluble
Log S (SILICOS-IT) : -5.2
Solubility : 0.00218 mg/ml ; 0.00000625 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.12

Safety of [ 882257-11-6 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P301+P310 UN#:2811
Hazard Statements:H301-H413 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 882257-11-6 ]

* 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 [ 882257-11-6 ]
  • Downstream synthetic route of [ 882257-11-6 ]

[ 882257-11-6 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 42456-75-7 ]
  • [ 17231-95-7 ]
  • [ 882257-11-6 ]
Reference: [1] Medicinal Chemistry letters, 2012, vol. 3, # 10, p. 789 - 792,4
[2] ACS Medicinal Chemistry Letters, 2012, vol. 3, # 10, p. 789 - 792
  • 2
  • [ 6310-09-4 ]
  • [ 882257-11-6 ]
Reference: [1] Medicinal Chemistry letters, 2012, vol. 3, # 10, p. 789 - 792,4
[2] ACS Medicinal Chemistry Letters, 2012, vol. 3, # 10, p. 789 - 792
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