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[ CAS No. 4265-58-1 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 4265-58-1
Chemical Structure| 4265-58-1
Chemical Structure| 4265-58-1
Structure of 4265-58-1 * Storage: {[proInfo.prStorage]}
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Quality Control of [ 4265-58-1 ]

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Product Details of [ 4265-58-1 ]

CAS No. :4265-58-1 MDL No. :MFCD01830380
Formula : C7H12O4S2 Boiling Point : -
Linear Structure Formula :- InChI Key :CAYIJDHBFNCNOL-UHFFFAOYSA-N
M.W : 224.30 Pubchem ID :12317723
Synonyms :

Calculated chemistry of [ 4265-58-1 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.71
Num. rotatable bonds : 6
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 54.53
TPSA : 125.2 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) : -6.65 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.87
Log Po/w (XLOGP3) : 1.43
Log Po/w (WLOGP) : 1.36
Log Po/w (MLOGP) : 0.6
Log Po/w (SILICOS-IT) : 0.53
Consensus Log Po/w : 0.96

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 0.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -1.74
Solubility : 4.12 mg/ml ; 0.0184 mol/l
Class : Very soluble
Log S (Ali) : -3.66
Solubility : 0.0486 mg/ml ; 0.000217 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.49
Solubility : 72.7 mg/ml ; 0.324 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.92

Safety of [ 4265-58-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P301+P312-P302+P352-P304+P340-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 4265-58-1 ]

* 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 [ 4265-58-1 ]

[ 4265-58-1 ] Synthesis Path-Downstream   1~15

  • 2
  • [ 67959-61-9 ]
  • [ 4265-58-1 ]
  • 3
  • [ 68-11-1 ]
  • [ 5435-44-9 ]
  • [ 67-64-1 ]
  • [ 4265-58-1 ]
  • 5
  • [ 127744-05-2 ]
  • [ 67-64-1 ]
  • [ 4265-58-1 ]
  • 7
  • [ 7647-01-0 ]
  • [ 68-11-1 ]
  • [ 67-64-1 ]
  • [ 4265-58-1 ]
  • 10
  • [ 4265-58-1 ]
  • [ 61713-29-9 ]
  • 11
  • [ 68-11-1 ]
  • [ 77-76-9 ]
  • [ 4265-58-1 ]
  • 12
  • [ 4265-58-1 ]
  • 2,2'-(propane-2,2- diylbis(sulfanediyl))bis(ethan-1-ol) [ No CAS ]
  • 13
  • [ 4265-58-1 ]
  • C32H34N2O8S2 [ No CAS ]
  • 14
  • [ 4265-58-1 ]
  • 2-((2-((2-hydroxyethyl)thio)propan-2-yl)thio)ethyl methacrylate [ No CAS ]
  • 15
  • [ 4265-58-1 ]
  • [ 1402836-58-1 ]
  • C25H32N2O4S2 [ No CAS ]
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