5-Hydroxytryptophol - ≥98% , CAS No.154-02-9

CAS: 154-02-9 Cat. No.: H274750 Molecular Weight: 177.2

GRADE & PURITY ≥98%

Synonyms

FT-0670204 | 1H-Indole-3-ethanol, 5-hydroxy- | NSC 84416 | SCHEMBL233744 | 5-Hydroxy Tryptophol | Hydroxytryptophol | UNII-52MNE52QA1 | US10544152, Cpd # 27 | 5-Hydroxy-1H-indole-3-ethanol | AS-37867 | 5-hydroxy-3-(2-hydroxyethyl)indole | 5-hydroxy-3-(2-h

Storage

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

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

5-Hydroxytryptophol is a mammalian serotonin metabolite, acting as a marker of acute alcohol consumption.

Product Application:

Metabolomics research

Specifications

Synonyms

FT-0670204 | 1H-Indole-3-ethanol, 5-hydroxy- | NSC 84416 | SCHEMBL233744 | 5-Hydroxy Tryptophol | Hydroxytryptophol | UNII-52MNE52QA1 | US10544152, Cpd # 27 | 5-Hydroxy-1H-indole-3-ethanol | AS-37867 | 5-hydroxy-3-(2-hydroxyethyl)indole | 5-hydroxy-3-(2-h

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Endogenous serotonin structural analog. L-tryptophan metabolite. Competitively inhibits serotonin glucuronidation and UDP-glucuronosyltransferase (K i values are 291 and 200 μM respectively). Blood-brain barrier permeable.

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.

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504751786
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504751786
• Canonical Smiles: C1=CC2=C(C=C1O)C(=CN2)CCO
• IUPAC Name: 3-(2-hydroxyethyl)-1H-indol-5-ol
• InChIKey: KQROHCSYOGBQGJ-UHFFFAOYSA-N
• INCHI: 1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2
• Isomeric SMILES: C1=CC2=C(C=C1O)C(=CN2)CCO
• Molecular Weight: 177.2
• Reaxy-Rn: 143517
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143517&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: 3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Hydroxyindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• External Descriptors: a small molecule

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: Soluble in water to 10 mM and in DMSO to 100 mM
• Sensitivity: light sensitive
• Molecular Weight: 177.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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