Perillene - Moligand™, ≥98% , CAS No.539-52-6

CAS: 539-52-6 Cat. No.: P303931 Formula: C₁₀H₁₄O Molecular Weight: 150.22 PubChem CID: 68316

GRADE & PURITY Moligand™, ≥98%

Synonyms

3-(4-Methyl-3-pentenyl)furan | 3-(4-methyl-3-pentenyl)-furan | AM4D4646ZW | 3-(4-Methyl-3-pentenyl)furan # | 3-Isohexenylfuran | 3-(4-METHYL-3-PENTEN-1-YL)FURAN | UNII-AM4D4646ZW | FT-0775721 | 3-(4-methylpent-3-en-1-yl)furan | MFCD28387433 | AS-82915 | F

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

Perillene (3-Isohexenylfuran) is an actiive constituent in the drug which promotes enterocinesia. Perillen demonstrates strong resistance activity against staphylococcus aureus and E.coli.

Specifications

Synonyms

3-(4-Methyl-3-pentenyl)furan | 3-(4-methyl-3-pentenyl)-furan | AM4D4646ZW | 3-(4-Methyl-3-pentenyl)furan # | 3-Isohexenylfuran | 3-(4-METHYL-3-PENTEN-1-YL)FURAN | UNII-AM4D4646ZW | FT-0775721 | 3-(4-methylpent-3-en-1-yl)furan | MFCD28387433 | AS-82915 | F

Specifications & Purity

Moligand™, ≥98%

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Action Type

INHIBITOR

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(=CCCC1=COC=C1)C
• IUPAC Name: 3-(4-methylpent-3-enyl)furan
• InChIKey: XNGKCOFXDHYSGR-UHFFFAOYSA-N
• INCHI: 1S/C10H14O/c1-9(2)4-3-5-10-6-7-11-8-10/h4,6-8H,3,5H2,1-2H3
• Isomeric SMILES: CC(=CCCC1=COC=C1)C
• PubChem CID: 68316
• Molecular Weight: 150.22

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Heteroaromatic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Heteroaromatic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Heteroaromatic compounds
• Alternative Parents: Furans Oxacyclic compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Furan - Oxacycle - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as heteroaromatic compounds. These are compounds containing an aromatic ring where a carbon atom is linked to an hetero atom.
• External Descriptors: furans - monoterpenoid

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

• Sensitivity: Light sensitive ；Moisture sensitive
• Molecular Weight: 150.220 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.104 Da
• Monoisotopic Mass: 150.104 Da
• Topological Polar Surface Area: 13.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 134.000
• 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