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30842-90-1,MFCD00020814
Catalog No.:AA0031EG

30842-90-1 | 3-Methylisoxazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
in stock  
$74.00   $52.00
- +
250mg
97%
in stock  
$109.00   $76.00
- +
1g
97%
in stock  
$269.00   $189.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0031EG
Chemical Name:
3-Methylisoxazole
CAS Number:
30842-90-1
Molecular Formula:
C4H5NO
Molecular Weight:
83.0886
MDL Number:
MFCD00020814
SMILES:
Cc1ccon1
NSC Number:
52270
Properties
Computed Properties
 
Complexity:
46.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.8  

Literature

Title: New analogues of epiboxidine incorporating the 4,5-dihydroisoxazole nucleus: synthesis, binding affinity at neuronal nicotinic acetylcholine receptors, and molecular modeling investigations.

Journal: Chemistry & biodiversity 20090201

Title: Potential nicotinic acetylcholine receptor ligands from 2,4-methanoproline derivatives.

Journal: Journal of medicinal chemistry 20081113

Title: catena-Poly[bis-(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online 20080101

Title: In vitro metabolism of leflunomide by mouse and human liver microsomes.

Journal: Drug metabolism letters 20071201

Title: Novel [(biphenyloxy)propyl]isoxazole derivatives for inhibition of human rhinovirus 2 and coxsackievirus B3 replication.

Journal: The Journal of antimicrobial chemotherapy 20050401

Title: 7-substituted 2-azabicyclo[2.2.1]heptanes as key intermediates for the synthesis of novel epibatidine analogues; synthesis of syn-and anti-isoepiboxidine.

Journal: The Journal of organic chemistry 20040806

Title: Homoepiboxidines: further potent agonists for nicotinic receptors.

Journal: Bioorganic & medicinal chemistry 20040102

Title: Liquid chromatography-mass spectrometry and liquid chromatography-NMR characterization of in vitro metabolites of a potent and irreversible peptidomimetic inhibitor of rhinovirus 3C protease.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20010501

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Tags:30842-90-1 Molecular Formula|30842-90-1 MDL|30842-90-1 SMILES|30842-90-1 3-Methylisoxazole
Catalog No.: AA0031EG
30842-90-1,MFCD00020814
30842-90-1 | 3-Methylisoxazole
Pack Size： 100mg
Purity： 97%
in stock
$74.00 $52.00
Pack Size： 250mg
Purity： 97%
in stock
$109.00 $76.00
Pack Size： 1g
Purity： 97%
in stock
$269.00 $189.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA0031EG
Chemical Name: 3-Methylisoxazole
CAS Number: 30842-90-1
Molecular Formula: C4H5NO
Molecular Weight: 83.0886
MDL Number: MFCD00020814
SMILES: Cc1ccon1
NSC Number: 52270
Properties
Complexity: 46.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.8  
Literature fold

Title: New analogues of epiboxidine incorporating the 4,5-dihydroisoxazole nucleus: synthesis, binding affinity at neuronal nicotinic acetylcholine receptors, and molecular modeling investigations.

Journal: Chemistry & biodiversity20090201

Title: Potential nicotinic acetylcholine receptor ligands from 2,4-methanoproline derivatives.

Journal: Journal of medicinal chemistry20081113

Title: catena-Poly[bis-(sulfamethoxazolium) [[trichloridocadmate(II)]-μ-chlorido] monohydrate].

Journal: Acta crystallographica. Section E, Structure reports online20080101

Title: In vitro metabolism of leflunomide by mouse and human liver microsomes.

Journal: Drug metabolism letters20071201

Title: Novel [(biphenyloxy)propyl]isoxazole derivatives for inhibition of human rhinovirus 2 and coxsackievirus B3 replication.

Journal: The Journal of antimicrobial chemotherapy20050401

Title: 7-substituted 2-azabicyclo[2.2.1]heptanes as key intermediates for the synthesis of novel epibatidine analogues; synthesis of syn-and anti-isoepiboxidine.

Journal: The Journal of organic chemistry20040806

Title: Homoepiboxidines: further potent agonists for nicotinic receptors.

Journal: Bioorganic & medicinal chemistry20040102

Title: Liquid chromatography-mass spectrometry and liquid chromatography-NMR characterization of in vitro metabolites of a potent and irreversible peptidomimetic inhibitor of rhinovirus 3C protease.

Journal: Drug metabolism and disposition: the biological fate of chemicals20010501

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