53589-27-8,MFCD20643937
Catalog No.:AA00DJJ2

53589-27-8 | 5-Acetyl-2-aminobenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$160.00   $112.00
- +
1g
95%
in stock  
$210.00   $147.00
- +
5g
95%
in stock  
$615.00 $430.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DJJ2
Chemical Name:
5-Acetyl-2-aminobenzoic acid
CAS Number:
53589-27-8
Molecular Formula:
C9H9NO3
Molecular Weight:
179.1727
MDL Number:
MFCD20643937
SMILES:
CC(=O)c1ccc(c(c1)C(=O)O)N
Properties
Computed Properties
 
Complexity:
227  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.6  

Downstream Synthesis Route
53589-27-8    98-59-9   
5-acetyl-2-(toluene-4-sulfonylamino)-benzoicacid 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8   
5-acetyl-2-(toluene-4-sulfonylamino)-benzoylchloride 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8   
5-acetyl-<i>N</i>-(1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8    98-09-9   
C15H13NO5S 

[1]Ruzi,Rehanguli;Ma,Junyang;Yuan,Xiang-Ai;Wang,Wenliang;Wang,Shanshan;Zhang,Muliang;Dai,Jie;Xie,Jin;Zhu,Chengjian[Chemistry-AEuropeanJournal,2019,vol.25,#55,p.12724-12729]

Literature
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Tags:53589-27-8 Molecular Formula|53589-27-8 MDL|53589-27-8 SMILES|53589-27-8 5-Acetyl-2-aminobenzoic acid
Catalog No.: AA00DJJ2
53589-27-8,MFCD20643937
53589-27-8 | 5-Acetyl-2-aminobenzoic acid
Pack Size: 250mg
Purity: 95%
in stock
$160.00 $112.00
Pack Size: 1g
Purity: 95%
in stock
$210.00 $147.00
Pack Size: 5g
Purity: 95%
in stock
$615.00 $430.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DJJ2
Chemical Name: 5-Acetyl-2-aminobenzoic acid
CAS Number: 53589-27-8
Molecular Formula: C9H9NO3
Molecular Weight: 179.1727
MDL Number: MFCD20643937
SMILES: CC(=O)c1ccc(c(c1)C(=O)O)N
Properties
Complexity: 227  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.6  
Downstream Synthesis Route
53589-27-8    98-59-9   
5-acetyl-2-(toluene-4-sulfonylamino)-benzoicacid 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8   
5-acetyl-2-(toluene-4-sulfonylamino)-benzoylchloride 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8   
5-acetyl-<i>N</i>-(1-phenyl-propyl)-2-(toluene-4-sulfonylamino)-benzamide 

[1]Peukert,Stefan;Brendel,Joachim;Pirard,Bernard;Struebing,Carsten;Kleemann,Heinz-Werner;Boehme,Thomas;Hemmerle,Horst[BioorganicandMedicinalChemistryLetters,2004,vol.14,#11,p.2823-2827]

53589-27-8    98-09-9   
C15H13NO5S 

[1]Ruzi,Rehanguli;Ma,Junyang;Yuan,Xiang-Ai;Wang,Wenliang;Wang,Shanshan;Zhang,Muliang;Dai,Jie;Xie,Jin;Zhu,Chengjian[Chemistry-AEuropeanJournal,2019,vol.25,#55,p.12724-12729]

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