Epalrestat (E,E)-Isomer
Impurity reference standard
- CAS number
- 863988-85-6
- InChIKey
- CHNUOJQWGUIOLD-SMTGYRLFSA-N
- Molecular formula
- C15H13NO3S2
- Molecular weight
- 319.40
- Exact mass
- 319.0337 Da
- Purity
- 95%+
- Appearance
- Orange Solid
- Storage
- 2℃ ~ 8℃
About Epalrestat (E,E)-Isomer
Epalrestat (E,E)-Isomer is supplied as an analytical reference standard. It is registered under CAS number 863988-85-6.
The compound is characterised by its molecular formula C15H13NO3S2 and a molecular weight of 319.40, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 319.0337 Da, a calculated LogP of 2.92, a topological polar surface area of 57.61 Ų. It presents 1 hydrogen-bond donor 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)
- 2.92
- Topological polar surface area
- 57.61 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Rings
- 2
- Elemental composition
- C 56.41% · H 4.10% · N 4.39% · O 15.03% · S 20.08%
Frequently asked questions
What purity does Epalrestat (E,E)-Isomer ship at?
Epalrestat (E,E)-Isomer is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does Epalrestat (E,E)-Isomer 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 Epalrestat (E,E)-Isomer uniquely identified?
The InChIKey CHNUOJQWGUIOLD-SMTGYRLFSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Epalrestat (E,E)-Isomer?
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 Epalrestat (E,E)-Isomer?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should Epalrestat (E,E)-Isomer 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.