Cas no 889955-61-7 (5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER)

5-Ethoxy-1H-indole-2-carboxylic acid methyl ester is a versatile indole derivative widely used in pharmaceutical and organic synthesis. This compound features an ethoxy substituent at the 5-position and a methyl ester group at the 2-position of the indole core, enhancing its reactivity and solubility in organic solvents. Its structural motif is valuable for constructing biologically active molecules, particularly in the development of heterocyclic compounds and medicinal agents. The methyl ester group facilitates further functionalization, making it a useful intermediate in multi-step syntheses. With high purity and stability, this compound is suitable for research applications requiring precise chemical modifications. Its well-defined structure ensures reproducibility in synthetic pathways.
5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER structure
889955-61-7 structure
Product Name:5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
CAS No:889955-61-7
MF:C12H13NO3
MW:219.236523389816
CID:890029
PubChem ID:4777796
Update Time:2025-07-02

5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • 5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER
    • 1H-INDOLE-2-CARBOXYLIC ACID,5-ETHOXY-,METHYL ESTER
    • Methyl 5-ethoxy-1H-indole-2-carboxylate
    • 889955-61-7
    • AKOS004119669
    • 5-ETHOXY-1H-INDOLE-2-CARBOXYLICACIDMETHYLESTER
    • s12278
    • Inchi： 1S/C12H13NO3/c1-3-16-9-4-5-10-8(6-9)7-11(13-10)12(14)15-2/h4-7,13H,3H2,1-2H3
    • InChI Key： MRBORMMDAXQYQH-UHFFFAOYSA-N
    • SMILES： O(CC)C1C=CC2=C(C=1)C=C(C(=O)OC)N2

Computed Properties

  • Exact Mass: 219.09000
  • Monoisotopic Mass: 219.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 257
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.8
  • Topological Polar Surface Area: 51.3?2

Experimental Properties

  • PSA: 51.32000
  • LogP: 2.35320

5-ETHOXY-1H-INDOLE-2-CARBOXYLIC ACID METHYL ESTER Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
CM363759-1g
methyl 5-ethoxy-1H-indole-2-carboxylate
 889955-61-7 95%+
1g
 $366 2022-08-31
SHANG HAI HAO HONG Biomedical Technology Co., Ltd.
1747807-1g
Methyl 5-ethoxy-1h-indole-2-carboxylate
 889955-61-7 98%
1g
 ￥3194.00 2024-04-26

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