5-Oxo Atorvastatin
Impurity reference standard
- CAS number
- 1391052-82-6
- InChIKey
- HIWOZSQQGYAAGY-HHHXNRCGSA-N
- Molecular formula
- C33H33FN2O5
- Molecular weight
- 556.62
- Exact mass
- 556.2374 Da
- Purity
- 95%+
- Appearance
- Pale Yellow to Light Yellow Solid
- Storage
- 2℃ ~ 8℃
About 5-Oxo Atorvastatin
5-Oxo Atorvastatin is supplied as an analytical reference standard. It is registered under CAS number 1391052-82-6.
The compound is characterised by its molecular formula C33H33FN2O5 and a molecular weight of 556.62, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 556.2374 Da, a calculated LogP of 6.52, a topological polar surface area of 108.63 Ų. It presents 3 hydrogen-bond donors and 4 acceptors. The structure carries 1 defined stereocentre, which is relevant wherever a stereochemically defined standard is required. These values are commonly used to anticipate chromatographic retention and to plan ionisation conditions during method development.
Each pack ships with a certificate of analysis reporting purity of 95%+ together with the supporting analytical data — HNMR, MS and HPLC or GC traces — so the material can be released straight into your own QC workflow. Recommended storage: 2℃ ~ 8℃.
Available from stock in milligram to gram quantities; larger or custom synthesis requirements are quoted on request.
Calculated properties
Derived from the two-dimensional structure above using RDKit. Computed values describe the parent structure and are provided as a reference for method development — they are not measured data.
- LogP (Crippen)
- 6.52
- Topological polar surface area
- 108.63 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 41
- Rings
- 4
- Defined stereocentres
- 1
- Elemental composition
- C 71.21% · F 3.41% · H 5.98% · N 5.03% · O 14.37%
Frequently asked questions
What purity does 5-Oxo Atorvastatin ship at?
5-Oxo Atorvastatin is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 5-Oxo Atorvastatin come with a certificate of analysis?
Yes. Every pack ships with a certificate of analysis plus the supporting analytical data — HNMR, MS and HPLC or GC traces.
How is 5-Oxo Atorvastatin uniquely identified?
The InChIKey HIWOZSQQGYAAGY-HHHXNRCGSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for 5-Oxo Atorvastatin?
Yes. The two-dimensional structure is drawn on this page from the SMILES record, and the SMILES or a molfile can be supplied on request.
What pack sizes are available for 5-Oxo Atorvastatin?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 5-Oxo Atorvastatin be stored?
Recommended storage: 2℃ ~ 8℃.
Need this standard, or a related one?
Send the compound name, CAS number or a structure file — we confirm availability, pack size and lead time, usually within one business day.