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[ CAS No. 10351-75-4 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 10351-75-4
Chemical Structure| 10351-75-4
Chemical Structure| 10351-75-4
Structure of 10351-75-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 10351-75-4 ]

CAS No. :10351-75-4 MDL No. :MFCD03093058
Formula : C9H6N2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :PIPQOFRJDBZPFR-UHFFFAOYSA-N
M.W : 206.16 Pubchem ID :7023591
Synonyms :

Calculated chemistry of [ 10351-75-4 ]

Physicochemical Properties

Num. heavy atoms : 15
Num. arom. heavy atoms : 9
Fraction Csp3 : 0.0
Num. rotatable bonds : 2
Num. H-bond acceptors : 5.0
Num. H-bond donors : 3.0
Molar Refractivity : 50.01
TPSA : 103.28 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) : -7.17 cm/s

Lipophilicity

Log Po/w (iLOGP) : -0.22
Log Po/w (XLOGP3) : 0.54
Log Po/w (WLOGP) : 0.96
Log Po/w (MLOGP) : 0.26
Log Po/w (SILICOS-IT) : 0.75
Consensus Log Po/w : 0.46

Druglikeness

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

Water Solubility

Log S (ESOL) : -1.77
Solubility : 3.5 mg/ml ; 0.017 mol/l
Class : Very soluble
Log S (Ali) : -2.28
Solubility : 1.08 mg/ml ; 0.00524 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.67
Solubility : 4.46 mg/ml ; 0.0216 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.44

Safety of [ 10351-75-4 ]

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

Application In Synthesis of [ 10351-75-4 ]

* 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 [ 10351-75-4 ]
  • Downstream synthetic route of [ 10351-75-4 ]

[ 10351-75-4 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 582-60-5 ]
  • [ 10351-75-4 ]
Reference: [1] RSC Advances, 2014, vol. 4, # 107, p. 62789 - 62792
[2] Journal of the American Chemical Society, 2004, vol. 126, # 4, p. 1102 - 1109
[3] Journal of Organic Chemistry, 2005, vol. 70, # 2, p. 639 - 647
[4] Journal of Organic Chemistry, 1987, vol. 52, # 13, p. 2933 - 2935
[5] Patent: US5795907, 1998, A,
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