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[ CAS No. 6358-06-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 6358-06-1
Chemical Structure| 6358-06-1
Structure of 6358-06-1 * Storage: {[proInfo.prStorage]}

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Product Details of [ 6358-06-1 ]

CAS No. :6358-06-1 MDL No. :MFCD01707858
Formula : C6H6ClNO Boiling Point : -
Linear Structure Formula :- InChI Key :JSCNCRWPXOTDDZ-UHFFFAOYSA-N
M.W : 143.57 Pubchem ID :80676
Synonyms :

Calculated chemistry of [ 6358-06-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 2.0
Molar Refractivity : 37.88
TPSA : 46.25 ?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 : Yes
Log Kp (skin permeation) : -6.13 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.37
Log Po/w (XLOGP3) : 1.47
Log Po/w (WLOGP) : 1.64
Log Po/w (MLOGP) : 1.41
Log Po/w (SILICOS-IT) : 1.31
Consensus Log Po/w : 1.44

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.15
Solubility : 1.02 mg/ml ; 0.00709 mol/l
Class : Soluble
Log S (Ali) : -2.05
Solubility : 1.29 mg/ml ; 0.00896 mol/l
Class : Soluble
Log S (SILICOS-IT) : -2.06
Solubility : 1.26 mg/ml ; 0.00881 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.11

Safety of [ 6358-06-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 6358-06-1 ]

* 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 [ 6358-06-1 ]

[ 6358-06-1 ] Synthesis Path-Downstream   1~4

  • 1
  • [ 918340-51-9 ]
  • [ 6358-06-1 ]
  • [ 918340-57-5 ]
  • 2
  • [ 6358-06-1 ]
  • [ 3032-81-3 ]
  • [ 1333950-06-3 ]
  • 3
  • [ 6358-06-1 ]
  • [ 3032-81-3 ]
  • [ 1333950-36-9 ]
  • 4
  • [ 6358-06-1 ]
  • [ 704-91-6 ]
  • N-(4-chloro-3-hydroxyphenyl)-1H-indazole-6-carboxamide [ No CAS ]
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