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[ CAS No. 4192-28-3 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
Chemical Structure| 4192-28-3
Chemical Structure| 4192-28-3
Structure of 4192-28-3 * Storage: {[proInfo.prStorage]}

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Quality Control of [ 4192-28-3 ]

Related Doc. of [ 4192-28-3 ]

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Product Citations

Product Details of [ 4192-28-3 ]

CAS No. :4192-28-3 MDL No. :MFCD00190990
Formula : C11H9NO4 Boiling Point : -
Linear Structure Formula :C6H4(CO)2NCHCH3COOH InChI Key :OZWUITKBAWTEAQ-LURJTMIESA-N
M.W : 219.19 Pubchem ID :720644
Synonyms :

Calculated chemistry of [ 4192-28-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 16
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.18
Num. rotatable bonds : 2
Num. H-bond acceptors : 4.0
Num. H-bond donors : 1.0
Molar Refractivity : 58.11
TPSA : 74.68 ?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) : -6.71 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.26
Log Po/w (XLOGP3) : 1.31
Log Po/w (WLOGP) : 0.37
Log Po/w (MLOGP) : 0.8
Log Po/w (SILICOS-IT) : 0.83
Consensus Log Po/w : 0.91

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.17
Solubility : 1.48 mg/ml ; 0.00676 mol/l
Class : Soluble
Log S (Ali) : -2.48
Solubility : 0.728 mg/ml ; 0.00332 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.88
Solubility : 2.9 mg/ml ; 0.0132 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.91

Safety of [ 4192-28-3 ]

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 [ 4192-28-3 ]

* 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 [ 4192-28-3 ]

[ 4192-28-3 ] Synthesis Path-Downstream   1~10

  • 1
  • [ 29022-11-5 ]
  • [ 35661-39-3 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C25H25IN4O7 [ No CAS ]
  • 2
  • [ 29022-11-5 ]
  • [ 35661-39-3 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C25H25IN4O7 [ No CAS ]
  • 3
  • [ 29022-11-5 ]
  • [ 35661-39-3 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C25H25IN4O7 [ No CAS ]
  • 4
  • [ 29022-11-5 ]
  • [ 71989-33-8 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C36H46IN5O10 [ No CAS ]
  • 5
  • [ 29022-11-5 ]
  • [ 71989-33-8 ]
  • [ 143824-78-6 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C30H37IN8O7 [ No CAS ]
  • 6
  • polyethylene glycol polyamide resin [ No CAS ]
  • [ 29022-11-5 ]
  • [ 71989-33-8 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C31H36IN6O8Pol [ No CAS ]
  • 7
  • [ 29022-11-5 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C22H20IN3O6 [ No CAS ]
  • 8
  • [ 29022-11-5 ]
  • [ 35661-60-0 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C28H31IN4O7 [ No CAS ]
  • 9
  • [ 29022-11-5 ]
  • [ 71989-28-1 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C27H29IN4O7S [ No CAS ]
  • 10
  • [ 29022-11-5 ]
  • [ 143824-78-6 ]
  • [ 4192-28-3 ]
  • [ 210282-31-8 ]
  • C38H38IN5O9 [ No CAS ]
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