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[ CAS No. 610-29-7 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 610-29-7
Chemical Structure| 610-29-7
Structure of 610-29-7 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 610-29-7 ]

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Product Details of [ 610-29-7 ]

CAS No. :610-29-7 MDL No. :MFCD00007141
Formula : C8H5NO6 Boiling Point : No data available
Linear Structure Formula :- InChI Key :QUMITRDILMWWBC-UHFFFAOYSA-N
M.W : 211.13 Pubchem ID :69122
Synonyms :

Calculated chemistry of [ 610-29-7 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.0
Num. rotatable bonds : 3
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 49.18
TPSA : 120.42 ?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) : -6.89 cm/s

Lipophilicity

Log Po/w (iLOGP) : 0.17
Log Po/w (XLOGP3) : 0.98
Log Po/w (WLOGP) : 0.99
Log Po/w (MLOGP) : 0.23
Log Po/w (SILICOS-IT) : -1.47
Consensus Log Po/w : 0.18

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.86
Solubility : 2.89 mg/ml ; 0.0137 mol/l
Class : Very soluble
Log S (Ali) : -3.1
Solubility : 0.169 mg/ml ; 0.0008 mol/l
Class : Soluble
Log S (SILICOS-IT) : -0.53
Solubility : 61.9 mg/ml ; 0.293 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 2.03

Safety of [ 610-29-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P305+P351+P338 UN#:
Hazard Statements:H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 610-29-7 ]

* 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 [ 610-29-7 ]

[ 610-29-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 108-82-7 ]
  • [ 610-29-7 ]
  • [ 180133-20-4 ]
  • [ 180133-12-4 ]
  • 2
  • [ 610-29-7 ]
  • [ 945-30-2 ]
  • 3
  • zinc(II) nitrate hexahydrate [ No CAS ]
  • [ 127-19-5 ]
  • [ 610-29-7 ]
  • [ 118996-38-6 ]
  • 4Zn(2+)*2C21H12NO6(3-)*0.5C8H3NO6(2-)*O(2-)*C2H7N*H(1+)*3C4H9NO [ No CAS ]
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