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[ CAS No. 6096-89-5 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6096-89-5
Chemical Structure| 6096-89-5
Structure of 6096-89-5 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 6096-89-5 ]

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Product Citations

Product Details of [ 6096-89-5 ]

CAS No. :6096-89-5 MDL No. :MFCD00235183
Formula : C8H10FNO Boiling Point : -
Linear Structure Formula :- InChI Key :HTMIRIIZZGJJBK-UHFFFAOYSA-N
M.W : 155.17 Pubchem ID :3135849
Synonyms :

Calculated chemistry of [ 6096-89-5 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.25
Num. rotatable bonds : 3
Num. H-bond acceptors : 3.0
Num. H-bond donors : 1.0
Molar Refractivity : 40.41
TPSA : 35.25 ?2

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) : -6.39 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.91
Log Po/w (XLOGP3) : 1.21
Log Po/w (WLOGP) : 1.58
Log Po/w (MLOGP) : 1.64
Log Po/w (SILICOS-IT) : 1.72
Consensus Log Po/w : 1.61

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.77
Solubility : 2.64 mg/ml ; 0.017 mol/l
Class : Very soluble
Log S (Ali) : -1.55
Solubility : 4.4 mg/ml ; 0.0284 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.85
Solubility : 0.218 mg/ml ; 0.00141 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.3

Safety of [ 6096-89-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6096-89-5 ]

* 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.

  • Downstream synthetic route of [ 6096-89-5 ]

[ 6096-89-5 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 332-50-3 ]
  • [ 6096-89-5 ]
  • 2
  • [ 6096-89-5 ]
  • [ 79-11-8 ]
  • [ 1644-58-2 ]
  • 3
  • [ 3449-48-7 ]
  • [ 6096-89-5 ]
  • [ 121594-02-3 ]
  • 4
  • [ 6096-89-5 ]
  • [ 66332-86-3 ]
  • 5-[(E)-2-(4-Fluoro-phenoxy)-ethylimino]-2-isopropyl-2-(3,4,5-trimethoxy-phenyl)-pentanenitrile [ No CAS ]
  • 5
  • [ 6096-89-5 ]
  • [ 160951-60-0 ]
  • [ 142783-56-0 ]
  • 6
  • [ 6096-89-5 ]
  • 3-Oxiranylmethoxy-6-pyrrol-1-yl-pyridazine [ No CAS ]
  • [ 138803-59-5 ]
  • 7
  • [ 6096-89-5 ]
  • [ 110696-17-8 ]
  • [ 142230-68-0 ]
  • 8
  • [ 6096-89-5 ]
  • [ 753483-50-0 ]
  • N4-[2-(4-Fluorophenoxy)ethyl]-N2-(1-phenylethyl)pyrimidine-2,4-diamine [ No CAS ]
  • 9
  • [ 6096-89-5 ]
  • [ 753483-56-6 ]
  • <i>N</i>4-[2-(4-fluoro-phenoxy)-ethyl]-<i>N</i>2-(1-phenyl-ethyl)-pyridine-2,4-diamine [ No CAS ]
  • 10
  • [ 6096-89-5 ]
  • [ 753483-58-8 ]
  • <i>N</i>2-[2-(4-fluoro-phenoxy)-ethyl]-<i>N</i>4-(1-phenyl-ethyl)-pyridine-2,4-diamine [ No CAS ]
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