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[ CAS No. 443-85-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 443-85-6
Chemical Structure| 443-85-6
Structure of 443-85-6 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 443-85-6 ]

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Product Details of [ 443-85-6 ]

CAS No. :443-85-6 MDL No. :MFCD00142922
Formula : C7H6FI Boiling Point : -
Linear Structure Formula :- InChI Key :MSPXWJMFEVAKHQ-UHFFFAOYSA-N
M.W : 236.03 Pubchem ID :2774523
Synonyms :

Calculated chemistry of [ 443-85-6 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 0.0
Molar Refractivity : 44.08
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
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) : -5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.26
Log Po/w (XLOGP3) : 3.04
Log Po/w (WLOGP) : 3.16
Log Po/w (MLOGP) : 3.95
Log Po/w (SILICOS-IT) : 3.69
Consensus Log Po/w : 3.22

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.71
Solubility : 0.0458 mg/ml ; 0.000194 mol/l
Class : Soluble
Log S (Ali) : -2.71
Solubility : 0.465 mg/ml ; 0.00197 mol/l
Class : Soluble
Log S (SILICOS-IT) : -4.02
Solubility : 0.0225 mg/ml ; 0.0000953 mol/l
Class : Moderately soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 443-85-6 ]

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

Application In Synthesis of [ 443-85-6 ]

* 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 [ 443-85-6 ]

[ 443-85-6 ] Synthesis Path-Downstream   1~2

  • 2
  • [ 54221-96-4 ]
  • [ 443-85-6 ]
  • (3-fluoro-2-methylphenyl)(6-methoxypyridin-2-yl)methanol [ No CAS ]
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