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[ CAS No. 17508-17-7 ] {[proInfo.proName]}

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Chemical Structure| 17508-17-7
Chemical Structure| 17508-17-7
Structure of 17508-17-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 17508-17-7 ]

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Product Details of [ 17508-17-7 ]

CAS No. :17508-17-7 MDL No. :MFCD00075001
Formula : C6H5N3O5 Boiling Point : -
Linear Structure Formula :- InChI Key :YLACRFYIUQZNIV-UHFFFAOYSA-N
M.W : 199.12 Pubchem ID :87140
Synonyms :
Chemical Name :O-(2,4-Dinitrophenyl)hydroxylamine

Calculated chemistry of [ 17508-17-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 14
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 1.0
Molar Refractivity : 48.48
TPSA : 126.89 ?2

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) : -7.02 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.36
Log Po/w (XLOGP3) : 0.7
Log Po/w (WLOGP) : 0.76
Log Po/w (MLOGP) : -0.69
Log Po/w (SILICOS-IT) : -3.51
Consensus Log Po/w : -0.48

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.63
Solubility : 4.62 mg/ml ; 0.0232 mol/l
Class : Very soluble
Log S (Ali) : -2.94
Solubility : 0.227 mg/ml ; 0.00114 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.55
Solubility : 56.6 mg/ml ; 0.284 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.54

Safety of [ 17508-17-7 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:N/A
Hazard Statements:H315-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 17508-17-7 ]

* 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 [ 17508-17-7 ]

[ 17508-17-7 ] Synthesis Path-Downstream   1~5

  • 1
  • [ 16096-13-2 ]
  • [ 17508-17-7 ]
  • 1-amino-2-isopropoxy-pyridinium; 2,4-dinitro-phenolate [ No CAS ]
  • 2
  • [ 2456-81-7 ]
  • [ 17508-17-7 ]
  • C6H3N2O5(1-)*C9H14N3(1+) [ No CAS ]
  • 3
  • [ 19013-07-1 ]
  • [ 17508-17-7 ]
  • C19H17N3O6 [ No CAS ]
  • 4
  • [ 13211-01-3 ]
  • [ 17508-17-7 ]
  • C22H19N3O5 [ No CAS ]
  • 5
  • [ 5430-45-5 ]
  • [ 17508-17-7 ]
  • C15H9ClN4O5 [ No CAS ]
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