477600-75-2 | Tofacitinib

Packsize	Purity	Availability	Price	Discounted Price
25mg	95%	in stock	$40.00	$28.00
100mg	95%	in stock	$87.00	$61.00
250mg	95%	in stock	$106.00	$75.00
1g	95%	in stock	$251.00	$176.00
5g	95%	in stock	$713.00	$499.00
10g	95%	in stock	$1,179.00	$825.00
25g	95%	in stock	$2,314.00	$1,620.00

Description

• Catalog Number: AI50881
• Chemical Name: Tofacitinib
• CAS Number: 477600-75-2
• Molecular Formula: C16H20N6O
• Molecular Weight: 312.3696
• MDL Number: MFCD11035919
• SMILES: N#CCC(=O)N1CCC([C@H](C1)N(c1ncnc2c1cc[nH]2)C)C

Computed Properties

• Complexity: 488
• Covalently-Bonded Unit Count: 1
• Defined Atom Stereocenter Count: 2
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 5
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 1.5

Upstream Synthesis Route

1-Piperidinepropanenitrile, 4-methyl-3-(methyl-7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-β-oxo-, (3R,4R), is a versatile compound widely used in chemical synthesis. Its unique structure makes it valuable for creating complex molecules with specific biological activities. In organic chemistry, this compound serves as a key intermediate in the synthesis of various pharmaceuticals, agrochemicals, and fine chemicals. With its structural features, it can participate in reactions to introduce specific functional groups or stereochemistry into the target molecules. This compound plays a crucial role in the development of novel compounds with potential applications in the field of medicinal chemistry and beyond.