Cas no 915092-85-2 (Atorvastatin Allyl Ester)
Atorvastatin Allyl Ester is a synthetic intermediate derived from Atorvastatin, a well-known statin used to lower cholesterol. This esterified form introduces an allyl group, enhancing its utility in pharmaceutical synthesis and research applications. The allyl ester moiety offers improved reactivity for further chemical modifications, making it valuable in the development of prodrugs or derivative compounds. Its stability and solubility properties facilitate controlled reactions in organic and medicinal chemistry workflows. As a key building block, Atorvastatin Allyl Ester is particularly useful in exploring structure-activity relationships or optimizing pharmacokinetic profiles in drug discovery.
Atorvastatin Allyl Ester structure
Product Name:Atorvastatin Allyl Ester
CAS No:915092-85-2
MF:C36H39FN2O5
MW:598.703673601151
CID:1059151
PubChem ID:70651915
Update Time:2025-08-10
Atorvastatin Allyl Ester Chemical and Physical Properties
Names and Identifiers
-
- Atorvastatin Allyl Ester
- Atorvastatin Ellyl Ester
- prop-2-enyl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-propan-2-ylpyrrol-1-yl]-3,5-dihydroxyheptanoate
- CHEMBL3753688
- SCHEMBL12072456
- DTXSID20742612
- 915092-85-2
- Prop-2-en-1-yl (3R,5R)-7-[2-(4-fluorophenyl)-3-phenyl-4-(phenylcarbamoyl)-5-(propan-2-yl)-1H-pyrrol-1-yl]-3,5-dihydroxyheptanoate
- 2-(4-Fluorophenyl)-?,?-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propenyl Ester
- (?R,?R)-2-(4-Fluorophenyl)-?,?-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propen-1-yl Ester
- 2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propenyl Ester; (betaR,deltaR)-2-(4-Fluorophenyl)-beta,delta-dihydroxy-5-(1-methylethyl)-3-phenyl-4-[(phenylamino)carbonyl]-1H-pyrrole-1-heptanoic Acid 2-Propen-1-yl Ester;
-
- Inchi： 1S/C36H39FN2O5/c1-4-21-44-31(42)23-30(41)22-29(40)19-20-39-34(24(2)3)33(36(43)38-28-13-9-6-10-14-28)32(25-11-7-5-8-12-25)35(39)26-15-17-27(37)18-16-26/h4-18,24,29-30,40-41H,1,19-23H2,2-3H3,(H,38,43)/t29-,30-/m1/s1
- InChI Key： UCJZSDSELLJXGC-LOYHVIPDSA-N
- SMILES： FC1C=CC(=CC=1)C1=C(C2C=CC=CC=2)C(C(NC2C=CC=CC=2)=O)=C(C(C)C)N1CC[C@H](C[C@H](CC(=O)OCC=C)O)O
Computed Properties
- Exact Mass: 598.28400
- Monoisotopic Mass: 598.28430051g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 44
- Rotatable Bond Count: 15
- Complexity: 897
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.9
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 104.28000
- LogP: 7.34220
Atorvastatin Allyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A791710-25mg |
Atorvastatin Allyl Ester |
915092-85-2 | 25mg |
$ 127.00 | 2023-04-19 | ||
| TRC | A791710-50mg |
Atorvastatin Allyl Ester |
915092-85-2 | 50mg |
$ 161.00 | 2023-04-19 | ||
| TRC | A791710-100mg |
Atorvastatin Allyl Ester |
915092-85-2 | 100mg |
$ 276.00 | 2023-04-19 | ||
| TRC | A791710-250mg |
Atorvastatin Allyl Ester |
915092-85-2 | 250mg |
$ 488.00 | 2023-04-19 | ||
| TRC | A791710-500mg |
Atorvastatin Allyl Ester |
915092-85-2 | 500mg |
$ 879.00 | 2023-04-19 | ||
| TRC | A791710-1g |
Atorvastatin Allyl Ester |
915092-85-2 | 1g |
$ 1579.00 | 2023-04-19 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-394144-100mg |
Atorvastatin Allyl Ester, |
915092-85-2 | 100mg |
￥2482.00 | 2023-09-05 | ||
| SHENG KE LU SI SHENG WU JI SHU | sc-394144-100 mg |
Atorvastatin Allyl Ester, |
915092-85-2 | 100MG |
￥2,482.00 | 2023-07-11 | ||
| A2B Chem LLC | AH87823-50mg |
Atorvastatin Ellyl Ester |
915092-85-2 | 50mg |
$4113.00 | 2024-07-18 |
Atorvastatin Allyl Ester Related Literature
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1. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
915092-85-2 (Atorvastatin Allyl Ester) Related Products
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- 134395-00-9((bR,δR)-Atorvastatin tert-Butyl Ester (>90%))
- 345891-62-5(Atorvastatin Methyl Ester)
- 163217-74-1(1H-Pyrrole-3-carboxamide,5-(4-fluorophenyl)-N-(2-hydroxyphenyl)-2-(1-methylethyl)-4-phenyl-1-[2-[(2R,4R)-tetrahydro-4-hydroxy-6-oxo-2H-pyran-2-yl]ethyl]-)
- 581772-29-4(Atorvastatin Acetonide)
- 134523-00-5(Atorvastatin)
- 908852-19-7(Methanamine (3R,5R)-7-(2-(4-fluorophenyl)-5-isopropyl-3-phenyl-4-(phenylcarbamoyl)-1H-pyrrol-1-yl)-3,5-dihydroxyheptanoate)
- 110862-48-1(Atorvastatin)
- 163217-70-7(4-Hydroxy Atorvastatin Lactone)
- 265989-36-4(4-Hydroxy Atorvastatin Acetonide tert-Butyl Ester)
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