Nitroso-prodenafil
Impurity reference standard
- CAS number
- 1266755-08-1
- InChIKey
- DTAKXJYYAUWRND-UHFFFAOYSA-N
- Molecular formula
- C27H35N9O5S2
- Molecular weight
- 629.75
- Exact mass
- 629.2203 Da
About Nitroso-prodenafil
Nitroso-prodenafil is supplied as an analytical reference standard. It is registered under CAS number 1266755-08-1.
The compound is characterised by its molecular formula C27H35N9O5S2 and a molecular weight of 629.75, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 629.2203 Da, a calculated LogP of 4.12, a topological polar surface area of 157.03 Ų. It presents 1 hydrogen-bond donor and 12 acceptors. The structure carries 2 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 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)
- 4.12
- Topological polar surface area
- 157.03 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 43
- Rings
- 5
- Defined stereocentres
- 2
- Elemental composition
- C 51.49% · H 5.60% · N 20.02% · O 12.70% · S 10.18%
Frequently asked questions
Does Nitroso-prodenafil 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 Nitroso-prodenafil uniquely identified?
The InChIKey DTAKXJYYAUWRND-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 Nitroso-prodenafil?
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 Nitroso-prodenafil?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
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.