CAS 15898-26-7 | Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)- | CAS Number 15898-26-7

200,000+ products from a single source!

sales@angenechem.com

Product Categories

Home > Other Building Blocks > 15898-26-7

15898-26-7 | Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-

CAS No: 15898-26-7 Catalog No: AG001R2Q MDL No:MFCD00453921

Product Description

Catalog Number:

AG001R2Q

Chemical Name:

Benzoic acid, 4-(2,5-dimethyl-1H-pyrrol-1-yl)-

CAS Number:

15898-26-7

Molecular Formula:

C13H13NO2

Molecular Weight:

215.2478

MDL Number:

MFCD00453921

IUPAC Name:

4-(2,5-dimethylpyrrol-1-yl)benzoic acid

InChI:

InChI=1S/C13H13NO2/c1-9-3-4-10(2)14(9)12-7-5-11(6-8-12)13(15)16/h3-8H,1-2H3,(H,15,16)

InChI Key:

WNZAIUIEXCYTCY-UHFFFAOYSA-N

SMILES:

OC(=O)c1ccc(cc1)n1c(C)ccc1C

Properties

Complexity:

249

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

215.095g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

215.252g/mol

Monoisotopic Mass:

215.095g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

42.2A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6

Literature

Title	Journal
Design, synthesis, and biological evaluation of N-carboxyphenylpyrrole derivatives as potent HIV fusion inhibitors targeting gp41.	Journal of medicinal chemistry 20081225
Molecular modeling studies of N-substituted pyrrole derivatives--potential HIV-1 gp41 inhibitors.	Bioorganic & medicinal chemistry 20080315
Discovery of Mycobacterium tuberculosis protein tyrosine phosphatase A (MptpA) inhibitors based on natural products and a fragment-based approach.	Chembiochem : a European journal of chemical biology 20051001