59642-21-6 | N-(4-Nitrobenzoyl)-beta-alanine

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$34.00	$24.00
5g	>98.0%(T)(HPLC)	in stock	$48.00	$33.00
25g	>98.0%(T)(HPLC)	in stock	$146.00	$102.00

Description

• Catalog Number: AI53322
• Chemical Name: N-(4-Nitrobenzoyl)-beta-alanine
• CAS Number: 59642-21-6
• Molecular Formula: C10H10N2O5
• Molecular Weight: 238.1968
• MDL Number: MFCD00009794
• SMILES: OC(=O)CCNC(=O)c1ccc(cc1)N(=O)=O

Computed Properties

• Complexity: 304
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 4
• XLogP3: 0.5

Literature

• Virtual screening identification of nonfolate compounds, including a CNS drug, as antiparasitic agents inhibiting pteridine reductase.

  Journal of medicinal chemistry 20110113