X-376
Impurity reference standard
- CAS number
- 1365267-27-1
- InChIKey
- ONPGOSVDVDPBCY-CQSZACIVSA-N
- Molecular formula
- C25H25Cl2FN6O3
- Molecular weight
- 547.41
- Exact mass
- 546.1349 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About X-376
X-376 is supplied as an analytical reference standard. It is registered under CAS number 1365267-27-1.
The compound is characterised by its molecular formula C25H25Cl2FN6O3 and a molecular weight of 547.41, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 546.1349 Da, a calculated LogP of 4.28, a topological polar surface area of 113.68 Ų. It presents 2 hydrogen-bond donors and 7 acceptors. The structure carries 1 defined stereocentre, 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)
- 4.28
- Topological polar surface area
- 113.68 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Rings
- 4
- Defined stereocentres
- 1
- Elemental composition
- C 54.85% · Cl 12.95% · F 3.47% · H 4.60% · N 15.35% · O 8.77%
Frequently asked questions
What purity does X-376 ship at?
X-376 is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does X-376 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 X-376 uniquely identified?
The InChIKey ONPGOSVDVDPBCY-CQSZACIVSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for X-376?
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 X-376?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should X-376 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.