(S,R,R,R)-Orlistat
Impurity reference standard
- CAS number
- 111466-61-6
- InChIKey
- AHLBNYSZXLDEJQ-JVYGEBFASA-N
- Molecular formula
- C29H53NO5
- Molecular weight
- 495.73
- Exact mass
- 495.3924 Da
- Purity
- 95%+
- Storage
- -20℃±5℃
About (S,R,R,R)-Orlistat
(S,R,R,R)-Orlistat is supplied as an analytical reference standard. It is registered under CAS number 111466-61-6.
The compound is characterised by its molecular formula C29H53NO5 and a molecular weight of 495.73, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 495.3924 Da, a calculated LogP of 6.88, a topological polar surface area of 81.70 Ų. It presents 1 hydrogen-bond donor and 5 acceptors. The structure carries 4 defined stereocentres, 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: -20℃±5℃.
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)
- 6.88
- Topological polar surface area
- 81.70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 23
- Heavy atoms
- 35
- Rings
- 1
- Defined stereocentres
- 4
- Elemental composition
- C 70.26% · H 10.78% · N 2.83% · O 16.14%
Frequently asked questions
What purity does (S,R,R,R)-Orlistat ship at?
(S,R,R,R)-Orlistat is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does (S,R,R,R)-Orlistat 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 (S,R,R,R)-Orlistat uniquely identified?
The InChIKey AHLBNYSZXLDEJQ-JVYGEBFASA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for (S,R,R,R)-Orlistat?
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 (S,R,R,R)-Orlistat?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should (S,R,R,R)-Orlistat be stored?
Recommended storage: -20℃±5℃.
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.