Relugolix-d6
Impurity reference standard
- CAS number
- 737789-87-6 (non-labelled)
- InChIKey
- AOMXMOCNKJTRQP-WFGJKAKNSA-N
- Molecular formula
- C29H21D6F2N7O5S
- Molecular weight
- 629.67
- Exact mass
- 629.2139 Da
- Purity
- 95%+
- Appearance
- White to Off-White Solid
- Storage
- 2℃ ~ 8℃
About Relugolix-d6
Relugolix-d6 is supplied as an analytical reference standard. It is registered under CAS number 737789-87-6.
The compound is characterised by its molecular formula C29H21D6F2N7O5S and a molecular weight of 629.67, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 629.2139 Da, a calculated LogP of 3.75, a topological polar surface area of 132.61 Ų. It presents 2 hydrogen-bond donors and 9 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)
- 3.75
- Topological polar surface area
- 132.61 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 44
- Rings
- 5
Frequently asked questions
What purity does Relugolix-d6 ship at?
Relugolix-d6 is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Relugolix-d6 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 Relugolix-d6 uniquely identified?
The InChIKey AOMXMOCNKJTRQP-WFGJKAKNSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Relugolix-d6?
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 Relugolix-d6?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Relugolix-d6 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.