Bromocriptine 2-Methylbutyl Analogue
Impurity reference standard
- CAS number
- 157135-98-3
- InChIKey
- TVBBCSQOKZWQOY-MPQDIVPXSA-N
- Molecular formula
- C33H42BrN5O5
- Molecular weight
- 668.62
- Exact mass
- 667.2369 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About Bromocriptine 2-Methylbutyl Analogue
Bromocriptine 2-Methylbutyl Analogue is supplied as an analytical reference standard. It is registered under CAS number 157135-98-3.
The compound is characterised by its molecular formula C33H42BrN5O5 and a molecular weight of 668.62, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 667.2369 Da, a calculated LogP of 3.58, a topological polar surface area of 118.21 Ų. It presents 3 hydrogen-bond donors and 6 acceptors. The structure carries 7 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: 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)
- 3.58
- Topological polar surface area
- 118.21 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 44
- Rings
- 7
- Defined stereocentres
- 7
- Elemental composition
- Br 11.95% · C 59.28% · H 6.33% · N 10.47% · O 11.96%
Frequently asked questions
What purity does Bromocriptine 2-Methylbutyl Analogue ship at?
Bromocriptine 2-Methylbutyl Analogue is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Bromocriptine 2-Methylbutyl Analogue 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 Bromocriptine 2-Methylbutyl Analogue uniquely identified?
The InChIKey TVBBCSQOKZWQOY-MPQDIVPXSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Bromocriptine 2-Methylbutyl Analogue?
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 Bromocriptine 2-Methylbutyl Analogue?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Bromocriptine 2-Methylbutyl Analogue 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.