Buspirone N-Oxide
Impurity reference standard
- CAS number
- 220747-81-9
- InChIKey
- PXFOIYSPRVISSG-UHFFFAOYSA-N
- Molecular formula
- C21H31N5O3
- Molecular weight
- 401.50
- Exact mass
- 401.2427 Da
- Purity
- 95%+
- Appearance
- White Solid
- Storage
- -20℃±5℃
About Buspirone N-Oxide
Buspirone N-Oxide is supplied as an analytical reference standard. It is registered under CAS number 220747-81-9.
The compound is characterised by its molecular formula C21H31N5O3 and a molecular weight of 401.50, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 401.2427 Da, a calculated LogP of 2.10, a topological polar surface area of 89.46 Ų. It presents 0 hydrogen-bond donors and 6 acceptors. 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)
- 2.10
- Topological polar surface area
- 89.46 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Rings
- 4
- Elemental composition
- C 62.82% · H 7.78% · N 17.44% · O 11.95%
Frequently asked questions
What purity does Buspirone N-Oxide ship at?
Buspirone N-Oxide is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Buspirone N-Oxide 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 Buspirone N-Oxide uniquely identified?
The InChIKey PXFOIYSPRVISSG-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Buspirone N-Oxide?
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 Buspirone N-Oxide?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Buspirone N-Oxide 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.