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[ CAS No. 4392-24-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Type HazMat fee for 500 gram (Estimated)
Excepted Quantity USD 0.00
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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Chemical Structure| 4392-24-9
Chemical Structure| 4392-24-9
Structure of 4392-24-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 4392-24-9 ]

CAS No. :4392-24-9 MDL No. :MFCD00000245
Formula : C9H9Br Boiling Point : -
Linear Structure Formula :- InChI Key :RUROFEVDCUGKHD-QPJJXVBHSA-N
M.W : 197.07 Pubchem ID :5357478
Synonyms :

Calculated chemistry of [ 4392-24-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.11
Num. rotatable bonds : 2
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.21
TPSA : 0.0 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : Yes
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.1 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.46
Log Po/w (XLOGP3) : 3.39
Log Po/w (WLOGP) : 2.99
Log Po/w (MLOGP) : 3.62
Log Po/w (SILICOS-IT) : 3.33
Consensus Log Po/w : 3.16

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 2.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -3.51
Solubility : 0.061 mg/ml ; 0.000309 mol/l
Class : Soluble
Log S (Ali) : -3.07
Solubility : 0.168 mg/ml ; 0.000853 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.75
Solubility : 0.0352 mg/ml ; 0.000179 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.35

Safety of [ 4392-24-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P280-P305+P351+P338-P310 UN#:3261
Hazard Statements:H314 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 4392-24-9 ]

* 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 [ 4392-24-9 ]
  • Downstream synthetic route of [ 4392-24-9 ]

[ 4392-24-9 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 90-02-8 ]
  • [ 4392-24-9 ]
  • [ 28752-82-1 ]
Reference: [1] European Journal of Organic Chemistry, 2017, vol. 2017, # 16, p. 2359 - 2368
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