Research chemical
CAS Number: 2828439-66-1
![(3aR,3a'R,8aS,8a'S)-2,2'-(1,13-Dibromotridecane-7,7-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole) molecular structure, CAS 2828439-66-1](/structure-images/2828439-66-1.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
163201361
Exact Mass
656.1436
InChIKey
YLEWYCAILFUETE-VZNYXHRGSA-N
IUPAC Name
(3aS,8bR)-2-[7-[(3aS,8bR)-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazol-2-yl]-1,13-dibromotridecan-7-yl]-4,8b-dihydro-3aH-indeno[1,2-d][1,3]oxazole
SMILES String
BrCCCCCCC(CCCCCCBr)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1
No physical property values available.
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.
(3aR,3a'R,8aS,8a'S)-2,2'-(1,13-Dibromotridecane-7,7-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole) is identified by CAS 2828439-66-1, with molecular formula C33H40Br2N2O2, molecular weight 656.5, InChIKey YLEWYCAILFUETE-VZNYXHRGSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
39
H-bond acceptors
4
H-bond donors
0
Rotatable bonds
14
Ring count
6
Aromatic rings
2
Topological polar surface area
43.18 Ų
Computed LogP
8.85
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
(3aR,3a'R,8aS,8a'S)-2,2'-(1,13-Dibromotridecane-7,7-diyl)bis(3a,8a-dihydro-8H-indeno[1,2-d]oxazole) (CAS 2828439-66-1) is maintained as a commercial cas reference with formula C33H40Br2N2O2, molecular weight 656. 50 g/mol, PubChem CID 163201361.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle.
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.