Research chemical
CAS Number: 913829-90-0
![(S)-4-Benzyl-2-((S)-7'-(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole , (Sa,S)-Xyl-Bn-SIPHOX molecular structure, CAS 913829-90-0](/structure-images/913829-90-0.png?v=struct-v3)
Product details
PubChem CID
11977440
Exact Mass
619.3004
InChIKey
HIVLVUWPNHHMAS-NKTCMXKJSA-N
IUPAC Name
[(3S)-4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-3,3'-spirobi[1,2-dihydroindene]-4'-yl]-bis(3,5-dimethylphenyl)phosphane
SMILES String
CC1=CC(C)=CC(P(C2=CC=CC3=C2[C@]4(CC3)CCC5=C4C(C6=N[C@@H](CC7=CC=CC=C7)CO6)=CC=C5)C8=CC(C)=CC(C)=C8)=C1
No physical property values available.
(S)-4-Benzyl-2-((S)-7'-(bis(3,5-dimethylphenyl)phosphino)-2,2',3,3'-tetrahydro-1,1'-spirobi[inden]-7-yl)-4,5-dihydrooxazole , (Sa,S)-Xyl-Bn-SIPHOX is identified by CAS 913829-90-0, with molecular formula C43H42NOP, molecular weight 619.77, InChIKey HIVLVUWPNHHMAS-NKTCMXKJSA-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.
For laboratory research and professional procurement workflows.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
6
Ring count
8
Aromatic rings
5
Topological polar surface area
21.59 Ų
Computed LogP
8.25
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
Research Catalog Compound with Phosphine Ligand (CAS 913829-90-0) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
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.
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.