Chenodeoxycholic Acid Impurity 3
Impurity reference standard · Chenodeoxycholic Acid
- CAS number
- 6130-93-4
- InChIKey
- ZBLNPMXAFVVOQK-UHFFFAOYSA-N
- Molecular formula
- C9H18N2O
- Molecular weight
- 170.25
- Exact mass
- 170.1419 Da
About Chenodeoxycholic Acid Impurity 3
Chenodeoxycholic Acid Impurity 3 is a specified impurity of Chenodeoxycholic Acid. It is registered under CAS number 6130-93-4.
The compound is characterised by its molecular formula C9H18N2O and a molecular weight of 170.25, with the two-dimensional structure shown above. Because it shares the Chenodeoxycholic Acid scaffold, it is typically used to track process-related and degradation impurities of Chenodeoxycholic Acid during method development, forced degradation and stability studies.
Computed from the structure, the compound has a monoisotopic mass of 170.1419 Da, a calculated LogP of 2.71, a topological polar surface area of 32.67 Ų. It presents 0 hydrogen-bond donors and 2 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 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.
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)
- 2.71
- Topological polar surface area
- 32.67 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Rings
- 1
- Elemental composition
- C 63.49% · H 10.66% · N 16.45% · O 9.40%
Frequently asked questions
Does Chenodeoxycholic Acid Impurity 3 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 Chenodeoxycholic Acid Impurity 3 uniquely identified?
The InChIKey ZBLNPMXAFVVOQK-UHFFFAOYSA-N identifies the structure unambiguously, so it can be matched against your own registry or a public database.
Is a structure file available for Chenodeoxycholic Acid Impurity 3?
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 Chenodeoxycholic Acid Impurity 3?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
Other Chenodeoxycholic Acid impurities
The same parent compound, neighbouring impurity numbers.
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.