BRN 5998093

2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid

CAS: 93799-12-3

Molecular Formula	`C20H27N3O4`
Molecular Weight	373.4 g/mol
LogP	-1.2
Topological Polar Surface Area	108.0 A2
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	5
Rotatable Bonds	7
Exact Mass	373.20016
Heavy Atoms	27
Complexity	625.0

Chemical Identifiers

CAS Number	93799-12-3
SMILES	`CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC=CC=C2C(=O)O)C`
InChIKey	`XBNDGZJADCLPGS-UHFFFAOYSA-N`

📖 Product Overview

BRN 5998093 (CAS: 93799-12-3) is a chemical compound with molecular formula C20H27N3O4 and molecular weight 373.4 g/mol. Its IUPAC systematic name is 2-[3-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]propylcarbamoyl]benzoic acid. LogP -1.2 Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 4 Hydrogen Bond Acceptors 5 Rotatable Bonds 7 Exact Mass 373.20016 Heavy Atoms 27 Complexity 625.0 InChI Key: XBNDGZJADCLPGS-UHFFFAOYSA-N. SMILES: CC1(C=C(C(N1)(C)C)C(=O)NCCCNC(=O)C2=CC=CC=C2C(=O)O)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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What documentation do you provide with the product?

We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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