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[ CAS No. 2888-06-4 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
HazMat Fee +

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 2888-06-4
Chemical Structure| 2888-06-4
Chemical Structure| 2888-06-4
Structure of 2888-06-4 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 2888-06-4 ]

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Product Details of [ 2888-06-4 ]

CAS No. :2888-06-4 MDL No. :MFCD00051697
Formula : C6H4Cl2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :OINWZUJVEXUHCC-UHFFFAOYSA-N
M.W : 211.07 Pubchem ID :17909
Synonyms :

Calculated chemistry of [ 2888-06-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.54
TPSA : 42.52 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.79
Log Po/w (XLOGP3) : 2.75
Log Po/w (WLOGP) : 3.35
Log Po/w (MLOGP) : 2.11
Log Po/w (SILICOS-IT) : 1.99
Consensus Log Po/w : 2.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.22
Solubility : 0.128 mg/ml ; 0.000604 mol/l
Class : Soluble
Log S (Ali) : -3.3
Solubility : 0.106 mg/ml ; 0.000504 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.56
Solubility : 0.058 mg/ml ; 0.000275 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.9

Safety of [ 2888-06-4 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3265
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 2888-06-4 ]

* 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 [ 2888-06-4 ]
  • Downstream synthetic route of [ 2888-06-4 ]

[ 2888-06-4 ] Synthesis Path-Upstream   1~6

  • 1
  • [ 108-42-9 ]
  • [ 2888-06-4 ]
Reference: [1] ChemSusChem, 2017, vol. 10, # 1, p. 151 - 155
[2] Collection of Czechoslovak Chemical Communications, 1999, vol. 64, # 11, p. 1833 - 1848
[3] Journal of the Chemical Society [Section] C: Organic, 1968, p. 2747 - 2751
[4] Collection of Czechoslovak Chemical Communications, 1984, vol. 49, # 5, p. 1182 - 1192
  • 2
  • [ 2037-31-2 ]
  • [ 2888-06-4 ]
Reference: [1] Tetrahedron Letters, 2010, vol. 51, # 2, p. 418 - 421
  • 3
  • [ 456-39-3 ]
  • [ 2888-06-4 ]
Reference: [1] ChemSusChem, 2017, vol. 10, # 1, p. 151 - 155
  • 4
  • [ 1126-34-7 ]
  • [ 2888-06-4 ]
Reference: [1] Journal of Organic Chemistry, 1961, vol. 26, p. 4331 - 4336
  • 5
  • [ 17333-84-5 ]
  • [ 2888-06-4 ]
Reference: [1] Chemische Berichte, 1957, vol. 90, p. 841,843
  • 6
  • [ 20677-52-5 ]
  • [ 2888-06-4 ]
Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2011, vol. 21, # 11, p. 3237 - 3242
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