Research chemical
CAS Number: 49864-98-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
12758699
Exact Mass
873.198135
InChIKey
HKLXBXZAJFGMAC-UHFFFAOYSA-N
IUPAC Name
[4-[[2,4,4,6,6-pentakis[4-(hydroxymethyl)phenoxy]-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-trien-2-yl]oxy]phenyl]methanol
SMILES String
OCc1ccc(OP2(Oc3ccc(CO)cc3)=NP(Oc3ccc(CO)cc3)(Oc3ccc(CO)cc3)=NP(Oc3ccc(CO)cc3)(Oc3ccc(CO)cc3)=N2)cc1
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.
Hexakis(4-hydroxymethylphenoxy)cyclotriphosphazene is identified by CAS 49864-98-4, with molecular formula C42H42N3O12P3, molecular weight 873.7, InChIKey HKLXBXZAJFGMAC-UHFFFAOYSA-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
60
H-bond acceptors
15
H-bond donors
6
Rotatable bonds
18
Ring count
7
Aromatic rings
6
Topological polar surface area
213.84 Ų
Computed LogP
9.27
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
Hexakis(4-hydroxymethylphenoxy)cyclotriphosphazene (CAS 49864-98-4) is maintained as a commercial cas reference with formula C42H42N3O12P3, molecular weight 873. 70 g/mol, PubChem CID 12758699.
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.