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[ CAS No. 15366-62-8 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 15366-62-8
Chemical Structure| 15366-62-8
Chemical Structure| 15366-62-8
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Product Details of [ 15366-62-8 ]

CAS No. :15366-62-8 MDL No. :MFCD04114236
Formula : C6H4BrNO2 Boiling Point : -
Linear Structure Formula :- InChI Key :CZLOEKRJQIAKFI-UHFFFAOYSA-N
M.W : 202.01 Pubchem ID :2762915
Synonyms :

Calculated chemistry of [ 15366-62-8 ]

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 1
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 38.9
TPSA : 50.19 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.77 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.08
Log Po/w (XLOGP3) : 1.07
Log Po/w (WLOGP) : 1.54
Log Po/w (MLOGP) : -0.34
Log Po/w (SILICOS-IT) : 1.43
Consensus Log Po/w : 0.96

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.85

Water Solubility

Log S (ESOL) : -2.14
Solubility : 1.45 mg/ml ; 0.00717 mol/l
Class : Soluble
Log S (Ali) : -1.72
Solubility : 3.89 mg/ml ; 0.0193 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.26
Solubility : 1.12 mg/ml ; 0.00555 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.32

Safety of [ 15366-62-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 15366-62-8 ]

* 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 [ 15366-62-8 ]
  • Downstream synthetic route of [ 15366-62-8 ]

[ 15366-62-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 124-38-9 ]
  • [ 19524-06-2 ]
  • [ 15366-62-8 ]
Reference: [1] Patent: US2011/230495, 2011, A1, . Location in patent: Page/Page column 20-21
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