4-Methyl Erlotinib
Impurity reference standard
- CAS number
- 1346601-52-2
- InChIKey
- PENVNSXCNXIPIF-UHFFFAOYSA-N
- Molecular formula
- C23H25N3O4
- Molecular weight
- 407.46
- Exact mass
- 407.1845 Da
- Purity
- 95%+
- Storage
- 2℃ ~ 8℃
About 4-Methyl Erlotinib
4-Methyl Erlotinib is supplied as an analytical reference standard. It is registered under CAS number 1346601-52-2.
The compound is characterised by its molecular formula C23H25N3O4 and a molecular weight of 407.46, with the two-dimensional structure shown above.
Computed from the structure, the compound has a monoisotopic mass of 407.1845 Da, a calculated LogP of 3.71, a topological polar surface area of 74.73 Ų. It presents 1 hydrogen-bond donor and 7 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)
- 3.71
- Topological polar surface area
- 74.73 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Rings
- 3
- Elemental composition
- C 67.80% · H 6.18% · N 10.31% · O 15.71%
Frequently asked questions
What purity does 4-Methyl Erlotinib ship at?
4-Methyl Erlotinib is supplied at 95%+, as stated on the certificate of analysis issued with each pack.
Does 4-Methyl Erlotinib 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 4-Methyl Erlotinib uniquely identified?
The InChIKey PENVNSXCNXIPIF-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 4-Methyl Erlotinib?
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 4-Methyl Erlotinib?
Standard packs run from milligram to gram quantities and ship from stock. Larger or custom synthesis requirements are quoted on request.
How should 4-Methyl Erlotinib 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.