ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate
Impurity reference standard
- CAS number
- 609806-40-8
- InChIKey
- BCKYTUFUNAGTDV-UHFFFAOYSA-N
- Molecular formula
- C23H25ClN2O3
- Molecular weight
- 412.91
- Exact mass
- 412.1554 Da
- Purity
- 95%+
- Appearance
- White to off-white solid
- Storage
- -20℃±5℃
About ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate
ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate is supplied as an analytical reference standard. It is registered under CAS number 609806-40-8.
The compound is characterised by its molecular formula C23H25ClN2O3 and a molecular weight of 412.91, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 412.1554 Da, a calculated LogP of 4.38, a topological polar surface area of 62.66 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: -20℃±5℃.
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)
- 4.38
- Topological polar surface area
- 62.66 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 29
- Rings
- 4
- Elemental composition
- C 66.90% · Cl 8.59% · H 6.10% · N 6.78% · O 11.62%
Frequently asked questions
What purity does ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate ship at?
ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate 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 ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate uniquely identified?
The InChIKey BCKYTUFUNAGTDV-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 ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate?
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 ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should ethyl 4-(8-chloro-4-(hydroxymethyl)-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate be stored?
Recommended storage: -20℃±5℃.
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.