BRN 3040745

2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid

CAS: 10590-23-5

Molecular Formula	`C17H20I3NO5`
Molecular Weight	699.06 g/mol
LogP	3.9
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	5
Rotatable Bonds	10
Exact Mass	698.8476
Heavy Atoms	26
Complexity	505.0

Chemical Identifiers

CAS Number	10590-23-5
SMILES	`CCCC(=O)NC1=C(C=C(C(=C1I)CC(CCCC(=O)O)C(=O)O)I)I`
InChIKey	`NUPOFFQZNMXXLV-UHFFFAOYSA-N`

📖 Product Overview

BRN 3040745 (CAS: 10590-23-5) is a chemical compound with molecular formula C17H20I3NO5 and molecular weight 699.06 g/mol. Its IUPAC systematic name is 2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]hexanedioic acid. LogP 3.9 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 5 Rotatable Bonds 10 Exact Mass 698.8476 Heavy Atoms 26 Complexity 505.0 InChI Key: NUPOFFQZNMXXLV-UHFFFAOYSA-N. SMILES: CCCC(=O)NC1=C(C=C(C(=C1I)CC(CCCC(=O)O)C(=O)O)I)I.

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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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Yes, we offer sample quantities for quality testing. Please submit an inquiry with your requirements and we will arrange samples accordingly.

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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