Research chemical
CAS Number: 138621-85-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4549422
Exact Mass
536.28651
InChIKey
ZBZAJDMUKZNNDS-UHFFFAOYSA-N
IUPAC Name
[2-(4-bromophenyl)-2-oxoethyl] docosanoate
SMILES String
CCCCCCCCCCCCCCCCCCCCCC(=O)OCC(=O)c1ccc(Br)cc1
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.
Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester is identified by CAS 138621-85-9, with molecular formula C30H49BrO3, molecular weight 537.6, InChIKey ZBZAJDMUKZNNDS-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
34
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
23
Ring count
1
Aromatic rings
1
Topological polar surface area
43.37 Ų
Computed LogP
10
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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
Docosanoic acid, 2-(4-bromophenyl)-2-oxoethyl ester (CAS 138621-85-9) is maintained as a commercial cas reference with formula C30H49BrO3, molecular weight 537. 60 g/mol, PubChem CID 4549422.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.