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[ CAS No. 15465-92-6 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 15465-92-6
Chemical Structure| 15465-92-6
Structure of 15465-92-6 * Storage: {[proInfo.prStorage]}
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Product Details of [ 15465-92-6 ]

CAS No. :15465-92-6 MDL No. :MFCD28579842
Formula : C11H13ClN4O5 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :316.70 Pubchem ID :-
Synonyms :
2-Chloro-6-O-methyl-inosine

Calculated chemistry of [ 15465-92-6 ]

Physicochemical Properties

Num. heavy atoms : 21
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.55
Num. rotatable bonds : 3
Num. H-bond acceptors : 8.0
Num. H-bond donors : 3.0
Molar Refractivity : 69.77
TPSA : 122.75 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) : -8.03 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.68
Log Po/w (XLOGP3) : 0.28
Log Po/w (WLOGP) : -1.22
Log Po/w (MLOGP) : -1.88
Log Po/w (SILICOS-IT) : -1.0
Consensus Log Po/w : -0.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.1
Solubility : 2.52 mg/ml ; 0.00796 mol/l
Class : Soluble
Log S (Ali) : -2.42
Solubility : 1.21 mg/ml ; 0.00381 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.67
Solubility : 67.2 mg/ml ; 0.212 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 0.0
Synthetic accessibility : 4.04

Safety of [ 15465-92-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 15465-92-6 ]

* 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 [ 15465-92-6 ]

[ 15465-92-6 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 15465-92-6 ]
  • [ 5188-07-8 ]
  • [ 100255-79-6 ]
  • 2
  • [ 15465-92-6 ]
  • [ 5746-29-2 ]
  • 5
  • [ 124-41-4 ]
  • (1<i>R</i>)-tri-<i>O</i>-benzoyl-1-<2,6-dichloro-purin-9-yl>-D-1,4-anhydro-ribitol [ No CAS ]
  • [ 15465-92-6 ]
  • 6
  • [ 15465-92-6 ]
  • [ 13364-95-9 ]
  • 7
  • [ 15465-92-6 ]
  • [ 24723-77-1 ]
  • 8
  • [ 15465-92-6 ]
  • [ 4105-39-9 ]
  • 9
  • [ 15465-92-6 ]
  • [ 51385-35-4 ]
  • 10
  • [ 15465-92-6 ]
  • [ 15763-11-8 ]
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