Research chemical
CAS Number: 112989-02-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
72241
Exact Mass
550.411075
InChIKey
QUVZKDZYEOYGKV-UHFFFAOYSA-N
IUPAC Name
[2-ethoxy-3-(octadecanoylamino)propyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES String
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)([O-])OCC[N+](C)(C)C)OCC
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
3-Octadecanamido-2-ethoxypropylphosphocholine is identified by CAS 112989-02-3, with molecular formula C28H59N2O6P, molecular weight 550.8, InChIKey QUVZKDZYEOYGKV-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Geminin, Prelamin-A/C, Neuropeptide S receptor, RecQ-like DNA helicase BLM, D(1A) dopamine receptor. These records do not establish therapeutic efficacy or clinical use.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
37
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
27
Ring count
0
Aromatic rings
0
Topological polar surface area
96.92 Ų
Computed LogP
5.98
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
3-Octadecanamido-2-ethoxypropylphosphocholine (CAS 112989-02-3) is maintained as a cataloged research chemical with formula C28H59N2O6P, molecular weight 550. 80 g/mol, PubChem CID 72241.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include phosphine-ligand motif, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
ChEMBL reports experimental activity evidence for: Geminin (Homo sapiens) — 2 assays; Prelamin-A/C (Homo sapiens) — 2 assays; Neuropeptide S receptor (Homo sapiens) — 3 assays; RecQ-like DNA helicase BLM (Homo sapiens) — 2 assays; D(1A) dopamine receptor (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Geminin
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.95
Experimental evidence source: ChEMBL
Prelamin-A/C
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.25
Experimental evidence source: ChEMBL
Neuropeptide S receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.2
Experimental evidence source: ChEMBL
RecQ-like DNA helicase BLM
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.65
Experimental evidence source: ChEMBL
D(1A) dopamine receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.