20825-89-2 | 3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	97%	in stock	$32.00	$23.00
5g	97%	in stock	$152.00	$107.00
10g	97%	in stock	$280.00	$196.00

Description

• Catalog Number: AB18527
• Chemical Name: 3,4-Dihydro-2h-1,5-benzodioxepine-7-carboxylic acid
• CAS Number: 20825-89-2
• Molecular Formula: C10H10O4
• Molecular Weight: 194.184
• MDL Number: MFCD00276310
• SMILES: OC(=O)c1ccc2c(c1)OCCCO2

Computed Properties

• Complexity: 216
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 1
• XLogP3: 0.7

Literature

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

  Bioorganic & medicinal chemistry letters 20101101

• Microsphere-based protease assays and screening application for lethal factor and factor Xa.

  Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501