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AB52188

104987-11-3 | Tacrolimus

Packsize Purity Availability Price Discounted Price    Quantity
1mg 95% in stock $13.00 $9.00 -   +
5mg 95% in stock $47.00 $33.00 -   +
10mg 95% in stock $85.00 $60.00 -   +
50mg 95% in stock $93.00 $66.00 -   +
250mg 95% in stock $109.00 $76.00 -   +
1g 95% in stock $270.00 $189.00 -   +
5g 95% in stock $990.00 $693.00 -   +
10g 95% in stock $1,879.00 $1,316.00 -   +
25g 95% in stock $3,372.00 $2,360.00 -   +

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*All prices are in USD.

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Description
Catalog Number: AB52188
Chemical Name: Tacrolimus
CAS Number: 104987-11-3
Molecular Formula: C44H69NO12
Molecular Weight: 804.0182
MDL Number: MFCD00869853
SMILES: C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2
NSC Number: 758659

 

Computed Properties
Complexity: 1480  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 14  
Defined Bond Stereocenter Count: 2  
Heavy Atom Count: 57  
Hydrogen Bond Acceptor Count: 12  
Hydrogen Bond Donor Count: 3  
Rotatable Bond Count: 7  
XLogP3: 2.7  

 

 

Upstream Synthesis Route 
  • The compound (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-Hexadecahydro-5,19-dihydroxy-3-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone can be utilized in chemical synthesis as a versatile building block. Its unique structural features, including multiple chiral centers, hydroxyl groups, methoxy groups, and an epoxy ring, make it a valuable intermediate for the construction of complex molecular architectures. This compound's functional groups provide opportunities for diverse chemical transformations, enabling the synthesis of novel compounds with potential biological activities or material properties. By incorporating this compound into synthetic pathways, researchers can access a wide range of molecular structures for exploration in various fields of chemistry.
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