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313701-78-9,MFCD01874279
Catalog No.:AA007JKS

313701-78-9 | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$81.00   $57.00
- +
5g
95%
in stock  
$321.00   $225.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA007JKS
Chemical Name:
3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
CAS Number:
313701-78-9
Molecular Formula:
C14H15NO2
Molecular Weight:
229.2744
MDL Number:
MFCD01874279
SMILES:
Cc1ccc(cc1n1c(C)ccc1C)C(=O)O
Properties
Computed Properties
 
Complexity:
282  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3  

Literature

Title: Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.

Journal: Chembiochem : a European journal of chemical biology 20051001

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SDS
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Tags:313701-78-9 Molecular Formula|313701-78-9 MDL|313701-78-9 SMILES|313701-78-9 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Catalog No.: AA007JKS
313701-78-9,MFCD01874279
313701-78-9 | 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
Pack Size： 1g
Purity： 95%
in stock
$81.00 $57.00
Pack Size： 5g
Purity： 95%
in stock
$321.00 $225.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA007JKS
Chemical Name: 3-(2,5-Dimethyl-1H-pyrrol-1-yl)-4-methylbenzoic acid
CAS Number: 313701-78-9
Molecular Formula: C14H15NO2
Molecular Weight: 229.2744
MDL Number: MFCD01874279
SMILES: Cc1ccc(cc1n1c(C)ccc1C)C(=O)O
Properties
Complexity: 282  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3  
Literature fold

Title: Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.

Journal: Chembiochem : a European journal of chemical biology20051001

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