62690-29-3 | Ethyl 3-phenylbutanoate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$201.00	$141.00
5g	98%	in stock	$572.00	$400.00
25g	98%	in stock	$1,878.00	$1,315.00

Description

• Catalog Number: AI53954
• Chemical Name: Ethyl 3-phenylbutanoate
• CAS Number: 62690-29-3
• Molecular Formula: C12H16O2
• Molecular Weight: 192.2542
• MDL Number: MFCD06204644
• SMILES: CCOC(=O)CC(c1ccccc1)C

Computed Properties

• Complexity: 171
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.9

Literature

• The crystal structure of an esterase from the hyperthermophilic microorganism Pyrobaculum calidifontis VA1 explains its enantioselectivity.

  Applied microbiology and biotechnology 20110801

• Inverting enantioselectivity of Burkholderia cepacia KWI-56 lipase by combinatorial mutation and high-throughput screening using single-molecule PCR and in vitro expression.

  Journal of molecular biology 20030815

• Mutations in distant residues moderately increase the enantioselectivity of Pseudomonas fluorescens esterase towards methyl 3bromo-2-methylpropanoate and ethyl 3phenylbutyrate.

  Chemistry (Weinheim an der Bergstrasse, Germany) 20030509