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[ CAS No. 12080-32-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 12080-32-9
Chemical Structure| 12080-32-9
Structure of 12080-32-9 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 12080-32-9 ]

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Product Details of [ 12080-32-9 ]

CAS No. :12080-32-9 MDL No. :MFCD00012413
Formula : C8H12Cl2Pt Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 374.17 Pubchem ID :-
Synonyms :

Calculated chemistry of [ 12080-32-9 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 11
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 0
Num. H-bond acceptors : 0.0
Num. H-bond donors : 0.0
Molar Refractivity : 49.21
TPSA : 0.0 ?2

Pharmacokinetics

GI absorption : Low
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.2 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : 4.76
Log Po/w (WLOGP) : -3.32
Log Po/w (MLOGP) : 3.27
Log Po/w (SILICOS-IT) : 2.28
Consensus Log Po/w : 1.4

Druglikeness

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

Water Solubility

Log S (ESOL) : -5.16
Solubility : 0.0026 mg/ml ; 0.00000694 mol/l
Class : Moderately soluble
Log S (Ali) : -4.49
Solubility : 0.0121 mg/ml ; 0.0000323 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -1.1
Solubility : 29.5 mg/ml ; 0.0789 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 2.0
Synthetic accessibility : 2.88

Safety of [ 12080-32-9 ]

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 [ 12080-32-9 ]

* 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 [ 12080-32-9 ]

[ 12080-32-9 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 12080-32-9 ]
  • [ 103099-52-1 ]
  • [ 121122-18-7 ]
  • 2
  • [ 12080-32-9 ]
  • [ 13406-29-6 ]
  • [ 92471-73-3 ]
  • 3
  • [ 12080-32-9 ]
  • [ 2491-15-8 ]
  • ((C6H5)3P)2Pt(OCHNCH2COO)*CH2Cl2 [ No CAS ]
  • 4
  • [ 12080-32-9 ]
  • [ 14180-51-9 ]
  • [ 252651-95-9 ]
  • 5
  • [ 12080-32-9 ]
  • [ 13406-29-6 ]
  • [ 92471-73-3 ]
  • 7
  • [ 12080-32-9 ]
  • [ 2848-01-3 ]
  • [ 1416226-90-8 ]
  • 8
  • [ 12080-32-9 ]
  • [ 547-32-0 ]
  • [ 39234-21-4 ]
  • [Pt(SD)(me-DTC)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
97% General procedure: A solution containing 1 mmol of the respective metal salt was added to sodium sulfadiazine (1mmol, 0.272 g) in 25 mL of distilled water. The mixture was refluxed for 1 h followed by the addition of N-methyl-N-phenyldithiocarbamate (1 mmol, 0.205 g) or N-ethyl-N-phenyldithiocarbamate (1 mmol, 0.219 g) in 25 mL of distilled water. The reaction mixture was further refluxed for 3 h, cool to room temperature and filtered. The product was dried over CaCl2.
  • 9
  • [ 12080-32-9 ]
  • [ 13074-29-8 ]
  • [ 547-32-0 ]
  • [Pt(SD)(et-DTC)] [ No CAS ]
YieldReaction ConditionsOperation in experiment
92% General procedure: A solution containing 1 mmol of the respective metal salt was added to sodium sulfadiazine (1mmol, 0.272 g) in 25 mL of distilled water. The mixture was refluxed for 1 h followed by the addition of N-methyl-N-phenyldithiocarbamate (1 mmol, 0.205 g) or N-ethyl-N-phenyldithiocarbamate (1 mmol, 0.219 g) in 25 mL of distilled water. The reaction mixture was further refluxed for 3 h, cool to room temperature and filtered. The product was dried over CaCl2.
  • 10
  • [ 12080-32-9 ]
  • [ 148332-36-9 ]
  • [PtCl(4'-carboxy-2,2':6',2''-terpyridine)]Cl*3H2O [ No CAS ]
  • 11
  • [ 12080-32-9 ]
  • [ 7732-18-5 ]
  • [ 112881-51-3 ]
  • [platinum(II)chloride(2,2':6',2''-terpyridine-4',4'''-pyridine)](chloride) monohydrate [ No CAS ]
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