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[ CAS No. 202925-07-3 ] {[proInfo.proName]}

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Chemical Structure| 202925-07-3
Chemical Structure| 202925-07-3
Structure of 202925-07-3 * Storage: {[proInfo.prStorage]}
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Product Details of [ 202925-07-3 ]

CAS No. :202925-07-3 MDL No. :MFCD00070778
Formula : C7H6ClFO Boiling Point : -
Linear Structure Formula :- InChI Key :RWKKEILFRAYSDQ-UHFFFAOYSA-N
M.W : 160.57 Pubchem ID :2773585
Synonyms :

Calculated chemistry of [ 202925-07-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 10
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.14
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 37.9
TPSA : 9.23 Ų

Pharmacokinetics

GI absorption : High
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) : -5.36 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.21
Log Po/w (XLOGP3) : 2.71
Log Po/w (WLOGP) : 2.91
Log Po/w (MLOGP) : 2.84
Log Po/w (SILICOS-IT) : 2.88
Consensus Log Po/w : 2.71

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.92
Solubility : 0.193 mg/ml ; 0.0012 mol/l
Class : Soluble
Log S (Ali) : -2.56
Solubility : 0.445 mg/ml ; 0.00277 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.41
Solubility : 0.0626 mg/ml ; 0.00039 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.59

Safety of [ 202925-07-3 ]

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

Application In Synthesis of [ 202925-07-3 ]

* 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 [ 202925-07-3 ]
  • Downstream synthetic route of [ 202925-07-3 ]

[ 202925-07-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 77-78-1 ]
  • [ 202925-07-3 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 16, p. 4817 - 4821
  • 2
  • [ 544-92-3 ]
  • [ 202925-07-3 ]
  • [ 127667-01-0 ]
Reference: [1] Journal of Organic Chemistry, 1990, vol. 55, # 16, p. 4817 - 4821
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