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[ CAS No. 60200-06-8 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 60200-06-8
Chemical Structure| 60200-06-8
Structure of 60200-06-8 * Storage: {[proInfo.prStorage]}
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Product Details of [ 60200-06-8 ]

CAS No. :60200-06-8 MDL No. :MFCD00072006
Formula : C8H8Cl3N3O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :QOVTVIYTBRHADL-UHFFFAOYSA-N
M.W : 380.66 Pubchem ID :43231
Synonyms :
L631529;MK401;BRN 2821757;Clorsulonum;Clorsulone

Calculated chemistry of [ 60200-06-8 ]

Physicochemical Properties

Num. heavy atoms : 20
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 3.0
Molar Refractivity : 77.31
TPSA : 163.1 Ų

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : Yes
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -7.75 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.72
Log Po/w (XLOGP3) : 1.23
Log Po/w (WLOGP) : 3.08
Log Po/w (MLOGP) : -0.31
Log Po/w (SILICOS-IT) : -0.49
Consensus Log Po/w : 0.85

Druglikeness

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

Water Solubility

Log S (ESOL) : -3.0
Solubility : 0.382 mg/ml ; 0.001 mol/l
Class : Soluble
Log S (Ali) : -4.25
Solubility : 0.0213 mg/ml ; 0.0000559 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -3.05
Solubility : 0.342 mg/ml ; 0.000897 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.84

Safety of [ 60200-06-8 ]

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

Application In Synthesis of [ 60200-06-8 ]

* 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 [ 60200-06-8 ]
  • Downstream synthetic route of [ 60200-06-8 ]

[ 60200-06-8 ] Synthesis Path-Upstream   1~11

  • 1
  • [ 60285-85-0 ]
  • [ 60200-06-8 ]
YieldReaction ConditionsOperation in experiment
82.5% With ammonia; pyrographite In ethanol; water for 1 h; Reflux substance ethanol 100ml,Water 350ml,Stirring,Ammonia was added20 g,Activated carbon 2g,Heated to reflux for 1 hour,Hot filtration,Using 50 ml of ethanol and100kg water washed carbon residue,The filtrate was slowly cooled to 10 ° C,Filtration,dry,The chlorine Shulong finished 16. 5g,The yield was 82.5percent.
Reference: [1] Patent: CN104230767, 2016, B, . Location in patent: Paragraph 0035; 0036
  • 2
  • [ 704-22-3 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
[2] Patent: US4064239, 1977, A,
  • 3
  • [ 4714-36-7 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 4
  • [ 721-24-4 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 5
  • [ 63630-17-1 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 6
  • [ 710-72-5 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 7
  • [ 63630-19-3 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 8
  • [ 63630-18-2 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
  • 9
  • [ 99-61-6 ]
  • [ 60200-06-8 ]
Reference: [1] Patent: CN104230767, 2016, B,
  • 10
  • [ 54619-63-5 ]
  • [ 60200-06-8 ]
Reference: [1] Patent: CN104230767, 2016, B,
  • 11
  • [ 63630-20-6 ]
  • [ 60200-06-8 ]
Reference: [1] Journal of Medicinal Chemistry, 1977, vol. 20, # 9, p. 1225 - 1227
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