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313259-91-5,MFCD00625728
Catalog No.:AA00C6M4

313259-91-5 | 3-(N,N-Diethylsulfamoyl)-4-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$133.00   $93.00
- +
100mg
95%
3 weeks  
$175.00   $123.00
- +
250mg
95%
3 weeks  
$222.00   $155.00
- +
500mg
95%
3 weeks  
$370.00   $259.00
- +
1g
95%
3 weeks  
$515.00   $360.00
- +
2.5g
95%
3 weeks  
$956.00   $669.00
- +
5g
95%
3 weeks  
$1,384.00   $969.00
- +
10g
95%
3 weeks  
$2,024.00   $1,417.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C6M4
Chemical Name:
3-(N,N-Diethylsulfamoyl)-4-methylbenzoic acid
CAS Number:
313259-91-5
Molecular Formula:
C12H17NO4S
Molecular Weight:
271.3327
MDL Number:
MFCD00625728
SMILES:
CCN(S(=O)(=O)c1cc(ccc1C)C(=O)O)CC
Properties
Computed Properties
 
Complexity:
383  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.7  

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:313259-91-5 Molecular Formula|313259-91-5 MDL|313259-91-5 SMILES|313259-91-5 3-(N,N-Diethylsulfamoyl)-4-methylbenzoic acid
Catalog No.: AA00C6M4
313259-91-5,MFCD00625728
313259-91-5 | 3-(N,N-Diethylsulfamoyl)-4-methylbenzoic acid
Pack Size： 50mg
Purity： 95%
3 weeks
$133.00 $93.00
Pack Size： 100mg
Purity： 95%
3 weeks
$175.00 $123.00
Pack Size： 250mg
Purity： 95%
3 weeks
$222.00 $155.00
Pack Size： 500mg
Purity： 95%
3 weeks
$370.00 $259.00
Pack Size： 1g
Purity： 95%
3 weeks
$515.00 $360.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$956.00 $669.00
Pack Size： 5g
Purity： 95%
3 weeks
$1,384.00 $969.00
Pack Size： 10g
Purity： 95%
3 weeks
$2,024.00 $1,417.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C6M4
Chemical Name: 3-(N,N-Diethylsulfamoyl)-4-methylbenzoic acid
CAS Number: 313259-91-5
Molecular Formula: C12H17NO4S
Molecular Weight: 271.3327
MDL Number: MFCD00625728
SMILES: CCN(S(=O)(=O)c1cc(ccc1C)C(=O)O)CC
Properties
Complexity: 383  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.7  
Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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