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[ CAS No. 84743-75-9 ] {[proInfo.proName]}

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Limited Quantity USD 15-60
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Inaccessible (Haz class 6.1), International USD 150+
Accessible (Haz class 3, 4, 5 or 8), Domestic USD 100+
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3d Animation Molecule Structure of 84743-75-9
Chemical Structure| 84743-75-9
Chemical Structure| 84743-75-9
Structure of 84743-75-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 84743-75-9 ]

CAS No. :84743-75-9 MDL No. :MFCD22056139
Formula : C6H4Br2O3 Boiling Point : -
Linear Structure Formula :- InChI Key :SNZHHFHFCLIISK-UHFFFAOYSA-N
M.W :283.90 Pubchem ID :14339091
Synonyms :

Calculated chemistry of [ 84743-75-9 ]

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 3.0
Num. H-bond donors : 3.0
Molar Refractivity : 47.91
TPSA : 60.69 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : Yes
Log Kp (skin permeation) : -5.67 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.4
Log Po/w (XLOGP3) : 3.32
Log Po/w (WLOGP) : 2.33
Log Po/w (MLOGP) : 1.72
Log Po/w (SILICOS-IT) : 1.79
Consensus Log Po/w : 2.11

Druglikeness

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

Water Solubility

Log S (ESOL) : -4.1
Solubility : 0.0228 mg/ml ; 0.0000803 mol/l
Class : Moderately soluble
Log S (Ali) : -4.27
Solubility : 0.0152 mg/ml ; 0.0000536 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.37
Solubility : 1.2 mg/ml ; 0.00424 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.57

Safety of [ 84743-75-9 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P302+P352 UN#:2811
Hazard Statements:H302+H312-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 84743-75-9 ]

* 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 [ 84743-75-9 ]
  • Downstream synthetic route of [ 84743-75-9 ]

[ 84743-75-9 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 3354-82-3 ]
  • [ 108-73-6 ]
  • [ 84743-75-9 ]
  • [ 84743-77-1 ]
Reference: [1] Canadian Journal of Chemistry, 1989, vol. 67, p. 335 - 344
  • 2
  • [ 108-73-6 ]
  • [ 3354-82-3 ]
  • [ 84743-75-9 ]
  • [ 84743-77-1 ]
Reference: [1] Canadian Journal of Chemistry, 1989, vol. 67, p. 335 - 344
[2] Canadian Journal of Chemistry, 1989, vol. 67, p. 335 - 344
  • 3
  • [ 108-73-6 ]
  • [ 84743-75-9 ]
  • [ 84743-77-1 ]
Reference: [1] Journal of the Chemical Society, Chemical Communications, 1995, # 6, p. 611 - 612
[2] Synthesis, 2010, # 10, p. 1629 - 1632
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