Research chemical
CAS Number: 2177259-16-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
134159232
Exact Mass
748.488537
InChIKey
XDNYVKUMWMLBJV-MPLRIKRWSA-N
IUPAC Name
(3S)-4'-bis(3,5-ditert-butylphenyl)phosphanyl-N-[(3-methyl-2-pyridinyl)methyl]-3,3'-spirobi[1,2-dihydroindene]-4-amine
SMILES String
Cc1cccnc1CNc1cccc2c1[C@]1(CC2)CCc2cccc(P(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c21
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(S)-Dtb-spiropap-3-ME is identified by CAS 2177259-16-2, with molecular formula C52H65N2P, molecular weight 749.1, InChIKey XDNYVKUMWMLBJV-MPLRIKRWSA-N.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
55
H-bond acceptors
2
H-bond donors
1
Rotatable bonds
6
Ring count
7
Aromatic rings
5
Topological polar surface area
24.92 Ų
Computed LogP
12.13
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
(S)-Dtb-spiropap-3-ME (CAS 2177259-16-2) is maintained as a commercial cas reference with formula C52H65N2P, molecular weight 749. 10 g/mol, PubChem CID 134159232.
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, phosphine-ligand motif.
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.