Research chemical
CAS Number: 871945-77-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164890514
Exact Mass
914.71521
InChIKey
AOLVSPGAOMCONB-YWSWRHJRSA-N
IUPAC Name
[(4R,5R)-5-[bis(3,5-ditert-butylphenyl)-hydroxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-bis(3,5-ditert-butylphenyl)methanol
SMILES String
OC(C1=CC(C(C)(C)C)=CC(C(C)(C)C)=C1)(C2=CC(C(C)(C)C)=CC(C(C)(C)C)=C2)[C@@H]3OC(C)(C)O[C@H]3C(C4=CC(C(C)(C)C)=CC(C(C)(C)C)=C4)(C5=CC(C(C)(C)C)=CC(C(C)(C)C)=C5)O
((4R,5R)-2,2-Dimethyl-1,3-dioxolane-4,5-diyl)bis(bis(3,5-di-tert-butylphenyl)methanol) is identified by CAS 871945-77-6, with molecular formula C63H94O4, molecular weight 915.42, InChIKey AOLVSPGAOMCONB-YWSWRHJRSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
67
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
6
Ring count
5
Aromatic rings
4
Topological polar surface area
58.92 Ų
Computed LogP
15.76
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
Research Catalog Compound - Request Quote and Documentation (CAS 871945-77-6) is listed for specialty intermediate sourcing for research synthesis workflows.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: building-block procurement where identity and documentation are checked before use, 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 RequestPurity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.