6-Methoxyindoline - ≥98% , CAS No.7556-47-0

CAS: 7556-47-0 Cat. No.: M186432 Molecular Weight: 149.2 EC Number: 819-094-7

GRADE & PURITY ≥98%

Synonyms

EN300-152899 | 6-methoxy-dihydroindole | AMY31158 | SY239842 | 6-Methoxyindoline | 6-methoxy-indoline | MFCD07371636 | Q-102600 | SCHEMBL550150 | F11865 | AC-31612 | DTXSID70423808 | FT-0602718 | A9616 | 1H-Indole, 2,3-dihydro-6-methoxy- | AKOS006285578 |

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

EN300-152899 | 6-methoxy-dihydroindole | AMY31158 | SY239842 | 6-Methoxyindoline | 6-methoxy-indoline | MFCD07371636 | Q-102600 | SCHEMBL550150 | F11865 | AC-31612 | DTXSID70423808 | FT-0602718 | A9616 | 1H-Indole, 2, 3-dihydro-6-methoxy- | AKOS006285578 |

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

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

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 528762528
• Canonical Smiles: COC1=CC2=C(CCN2)C=C1
• IUPAC Name: 6-methoxy-2,3-dihydro-1H-indole
• InChIKey: GKFGHNMPMAXWQS-UHFFFAOYSA-N
• INCHI: 1S/C9H11NO/c1-11-8-3-2-7-4-5-10-9(7)6-8/h2-3,6,10H,4-5H2,1H3
• Isomeric SMILES: COC1=CC2=C(CCN2)C=C1
• Molecular Weight: 149.2
• Reaxy-Rn: 1424825
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1424825&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Anisoles Secondary alkylarylamines Aralkylamines Alkyl aryl ethers Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Anisole - Phenol ether - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - Secondary amine - Ether - Azacycle - Amine - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• External Descriptors: Not available

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: Moisture sensitive
• Molecular Weight: 149.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 149.084 Da
• Monoisotopic Mass: 149.084 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 138.000
• 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

References

1. Lingzhi Wang, Yalei Gao, Yuying Chen, Zhenzhou Tang, Xiao Lin, Meng Bai, Pei Cao, Kai Liu.  (2025)  Discovery of Novel Pyridin-2-yl Urea Inhibitors Targeting ASK1 Kinase and Its Binding Mode by Absolute Protein–Ligand Binding Free Energy Calculations.  INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES,  26  (4): (1527).  [PMID:40003993] [10.3390/ijms26041527]