104239-97-6 | (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$25.00	$18.00
5g	95%	in stock	$117.00	$82.00
10g	95%	in stock	$154.00	$108.00
25g	95%	in stock	$306.00	$214.00
100g	95%	in stock	$858.00	$600.00

Description

• Catalog Number: AE08448
• Chemical Name: (4aR,4bS,6aS,7S,9aS,9bS,11aR)-4a,6a-Dimethyl-2-oxo-2,4a,4b,5,6,6a,7,8,9,9a,9b,10,11,11a-tetradecahydro-1H-indeno[5,4-f]quinoline-7-carboxylic acid
• CAS Number: 104239-97-6
• Molecular Formula: C19H27NO3
• Molecular Weight: 317.4226
• MDL Number: MFCD08063794
• SMILES: O=C1C=C[C@]2([C@H](N1)CC[C@@H]1[C@@H]2CC[C@]2([C@H]1CC[C@@H]2C(=O)O)C)C

Computed Properties

• Complexity: 585
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 7
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 1
• XLogP3: 2.3

Upstream Synthesis Route

The 3-Oxo-4-aza-5α-androst-1-ene-17β-carboxylic Acid is a versatile compound that finds crucial application in chemical synthesis processes. Due to its unique structure and functional groups, this compound serves as a key building block in the creation of diverse pharmaceuticals, especially those targeted at hormone-related disorders. In synthetic chemistry, it acts as a valuable intermediate for the synthesis of various steroid-based compounds, enabling the production of specialized drugs with enhanced biological activity and pharmacological properties. Additionally, its reactivity and structural features make it a valuable tool in the design and development of novel chemical entities for medicinal and research purposes.