40106-13-6 | Ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylate

Packsize	Purity	Availability	Price	Discounted Price
1g	98%	in stock	$27.00	$19.00
5g	98%	in stock	$98.00	$69.00

Description

• Catalog Number: AB73581
• Chemical Name: Ethyl 2-amino-5,6,7,8-tetrahydro-4h-cyclohepta[b]thiophene-3-carboxylate
• CAS Number: 40106-13-6
• Molecular Formula: C12H17NO2S
• Molecular Weight: 239.3338800000001
• MDL Number: MFCD00216932
• SMILES: CCOC(=O)c1c(N)sc2c1CCCCC2
• NSC Number: 158551

Computed Properties

• Complexity: 259
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 3.8

Literature

• 2-Amino-3-aroyl-4,5-alkylthiophenes: agonist allosteric enhancers at human A(1) adenosine receptors.

  Journal of medicinal chemistry 20020117