58168-20-0 | Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
5g	97%	in stock	$18.00	$12.00
25g	97%	in stock	$42.00	$30.00
100g	97%	in stock	$114.00	$80.00
500g	97%	in stock	$370.00	$259.00

Description

• Catalog Number: AI53025
• Chemical Name: Ethyl 5-amino-4-cyano-3-(2-ethoxy-2-oxoethyl)thiophene-2-carboxylate
• CAS Number: 58168-20-0
• Molecular Formula: C12H14N2O4S
• Molecular Weight: 282.3156
• MDL Number: MFCD00832845
• SMILES: CCOC(=O)Cc1c(sc(c1C#N)N)C(=O)OCC

Computed Properties

• Complexity: 392
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 19
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 7
• XLogP3: 2.2

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101