BDY FL-X, SE - ≥90%(HPLC) , CAS No.217190-09-5

CAS: 217190-09-5 Cat. No.: B286594 Molecular Weight: 502.32

GRADE & PURITY ≥90%(HPLC)

Synonyms

3-Bodipy-propanoylaminocaproic Acid, N-Hydroxysuccinimide Ester | BODIPY FL-X succinimidyl ester | (3-{2-[(3,5-Dimethyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}-N-{6-[(2,5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}propanamidato)(difluoro)boron

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

3-Bodipy-propanoylaminocaproic Acid, N-Hydroxysuccinimide Ester | BODIPY FL-X succinimidyl ester | (3-{2-[(3, 5-Dimethyl-1H-pyrrol-2-yl-kappaN)methylidene]-2H-pyrrol-5-yl-kappaN}-N-{6-[(2, 5-dioxopyrrolidin-1-yl)oxy]-6-oxohexyl}propanamidato)(difluoro)boron

Specifications & Purity

≥90%(HPLC)

Biochemical and Physiological Mechanisms

Fluorescent green BDY (BODIPY®or boron-dipyrromethene) dye for the labeling of amines. Exhibits similar excitation and emission spectra toFITCandTFAX 488dyes. Displays high fluorescence quantum yield and high extinction coefficient and is relatively insen

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥90%(HPLC)

Names and Identifiers

• Canonical Smiles: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C)C)(F)F
• IUPAC Name: (2,5-dioxopyrrolidin-1-yl) 6-[3-(2,2-difluoro-10,12-dimethyl-1-aza-3-azonia-2-boranuidatricyclo[7.3.0.03,7]dodeca-3,5,7,9,11-pentaen-4-yl)propanoylamino]hexanoate
• InChIKey: AWACOFBGFAKYPF-UHFFFAOYSA-N
• INCHI: 1S/C24H29BF2N4O5/c1-16-14-17(2)29-20(16)15-19-8-7-18(30(19)25(29,26)27)9-10-21(32)28-13-5-3-4-6-24(35)36-31-22(33)11-12-23(31)34/h7-8,14-15H,3-6,9-13H2,1-2H3,(H,28,32)
• Isomeric SMILES: [B-]1(N2C(=CC(=C2C=C3[N+]1=C(C=C3)CCC(=O)NCCCCCC(=O)ON4C(=O)CCC4=O)C)C)(F)F
• Molecular Weight: 502.32
• Reaxy-Rn: 22564001
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=22564001&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrroles
      • Subclass Substituted pyrroles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrroles
• Subclass: Substituted pyrroles
• Intermediate Tree Nodes: Not available
• Direct Parent: Substituted pyrroles
• Alternative Parents: Pyrrolidine-2-ones Fatty amides Dicarboximides Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid salts Lactams Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic metalloid salts Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Fatty amide - Pyrrolidone - 2-pyrrolidone - Substituted pyrrole - Fatty acyl - Dicarboximide - Pyrrolidine - Heteroaromatic compound - Carboxamide group - Carboxylic acid salt - Lactam - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic metalloid salt - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as substituted pyrroles. These are heterocyclic compounds containing a pyrrole ring substituted at one or more positions.
• External Descriptors: pyrrolidinone - BODIPY dye

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 50.23, Max Conc. mM: 100
• Molecular Weight: 502.300 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 502.22 Da
• Monoisotopic Mass: 502.22 Da
• Topological Polar Surface Area: 101.000 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 1040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

XLogP3