Regorafenib-13C-d3 N-Oxide
Impurity reference standard
- CAS number
- 835621-11-9 (Unlabeled)
- InChIKey
- NUCXNEKIESREQY-KQORAOOSSA-N
- Molecular formula
- C20[13C]H12D3ClF4N4O4
- Molecular weight
- 502.83
- Exact mass
- 502.0940 Da
- Purity
- 95%+
- Appearance
- White to off-white solid
- Storage
- 2℃ ~ 8℃
About Regorafenib-13C-d3 N-Oxide
Regorafenib-13C-d3 N-Oxide is supplied as an analytical reference standard. It is registered under CAS number 835621-11-9.
The compound is characterised by its molecular formula C20[13C]H12D3ClF4N4O4 and a molecular weight of 502.83, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 502.0940 Da, a calculated LogP of 4.93, a topological polar surface area of 106.40 Ų. It presents 3 hydrogen-bond donors and 4 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: 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)
- 4.93
- Topological polar surface area
- 106.40 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 34
- Rings
- 3
Frequently asked questions
What purity does Regorafenib-13C-d3 N-Oxide ship at?
Regorafenib-13C-d3 N-Oxide is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Regorafenib-13C-d3 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 Regorafenib-13C-d3 N-Oxide uniquely identified?
The InChIKey NUCXNEKIESREQY-KQORAOOSSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Regorafenib-13C-d3 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 Regorafenib-13C-d3 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 Regorafenib-13C-d3 N-Oxide 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.