5548-09-4 | Methyl 3-(1h-indol-3-yl)propanoate

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$8.00	$6.00
250mg	95%	in stock	$10.00	$7.00
1g	96%	in stock	$26.00	$18.00
5g	95%	in stock	$31.00	$22.00
10g	95%	in stock	$62.00	$44.00
100g	96%	in stock	$573.00	$402.00

Description

• Catalog Number: AG32382
• Chemical Name: Methyl 3-(1h-indol-3-yl)propanoate
• CAS Number: 5548-09-4
• Molecular Formula: C12H13NO2
• Molecular Weight: 203.2371
• MDL Number: MFCD00022778
• SMILES: COC(=O)CCc1c[nH]c2c1cccc2
• NSC Number: 56004

Computed Properties

• Complexity: 230
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 4
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.1

Literature

• Methyl 3-(1H-indol-3-yl)propano-ate.

  Acta crystallographica. Section E, Structure reports online 20110801

• Isosteric probes provide structural requirements essential for detoxification of the phytoalexin brassinin by the fungal pathogen Leptosphaeria maculans.

  Bioorganic & medicinal chemistry 20070915