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[ CAS No. 95734-82-0 ] {[proInfo.proName]}

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Chemical Structure| 95734-82-0
Chemical Structure| 95734-82-0
Structure of 95734-82-0 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 95734-82-0 ]

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Product Details of [ 95734-82-0 ]

CAS No. :95734-82-0 MDL No. :MFCD00866374
Formula : C2H8N2O3Pt Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 303.17 Pubchem ID :-
Synonyms :
NSC 375101D;NSC 375101

Calculated chemistry of [ 95734-82-0 ]

Physicochemical Properties

Num. heavy atoms : 8
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.5
Num. rotatable bonds : 1
Num. H-bond acceptors : 5.0
Num. H-bond donors : 2.0
Molar Refractivity : 20.64
TPSA : 69.67 Ų

Pharmacokinetics

GI absorption : High
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) : -11.59 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.0
Log Po/w (XLOGP3) : -4.85
Log Po/w (WLOGP) : -1.19
Log Po/w (MLOGP) : -3.05
Log Po/w (SILICOS-IT) : -0.81
Consensus Log Po/w : -1.98

Druglikeness

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

Water Solubility

Log S (ESOL) : 1.4
Solubility : 7650.0 mg/ml ; 25.2 mol/l
Class : Highly soluble
Log S (Ali) : 4.02
Solubility : 3160000.0 mg/ml ; 10400.0 mol/l
Class : Highly soluble
Log S (SILICOS-IT) : 1.04
Solubility : 3360.0 mg/ml ; 11.1 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 1.46

Safety of [ 95734-82-0 ]

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

Application In Synthesis of [ 95734-82-0 ]

* 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 [ 95734-82-0 ]
  • Downstream synthetic route of [ 95734-82-0 ]

[ 95734-82-0 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 13126-71-1 ]
  • [ 95734-82-0 ]
Reference: [1] Journal of Medicinal Chemistry, 2013, vol. 56, # 1, p. 330 - 344
  • 2
  • [ 41575-87-5 ]
  • [ 25289-18-3 ]
  • [ 95734-82-0 ]
Reference: [1] Chemistry Letters, 1986, p. 429 - 432
  • 3
  • [ 79-14-1 ]
  • [ 41575-87-5 ]
  • [ 95734-82-0 ]
Reference: [1] Chemistry Letters, 1986, p. 429 - 432
  • 4
  • [ 79-14-1 ]
  • [ 63700-88-9 ]
  • [ 25289-18-3 ]
  • [ 95734-82-0 ]
Reference: [1] Chemistry Letters, 1986, p. 429 - 432
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