21643-38-9 | 4-Hexylbenzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$34.00	$24.00
5g	95%	in stock	$86.00	$60.00
25g	95%	in stock	$246.00	$172.00
100g	95%	in stock	$715.00	$501.00
250g	95%	in stock	$1,627.00	$1,139.00

Description

• Catalog Number: AB67598
• Chemical Name: 4-Hexylbenzoic acid
• CAS Number: 21643-38-9
• Molecular Formula: C13H18O2
• Molecular Weight: 206.2808
• MDL Number: MFCD00013997
• SMILES: CCCCCCc1ccc(cc1)C(=O)O
• NSC Number: 172887

Computed Properties

• Complexity: 181
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 6
• XLogP3: 5.1

Literature

• Identification and characterization of 4-hexylbenzoic acid and 4-nonyloxybenzoic acid as substrates of CYP102A1.

  Applied microbiology and biotechnology 20110401

• 3D-QSAR and molecular docking studies of benzaldehyde thiosemicarbazone, benzaldehyde, benzoic acid, and their derivatives as phenoloxidase inhibitors.

  Bioorganic & medicinal chemistry 20070301