Research chemical
CAS Number: 81005-34-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
123753
Exact Mass
771.418345
InChIKey
RIWWBDCNFJKLCV-UHFFFAOYSA-N
IUPAC Name
[3-hexadecanoyloxy-2-[6-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]hexanoyloxy]propyl] 2-(trimethylazaniumyl)ethyl phosphate
SMILES String
CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCNC1=CC=C(C2=NON=C12)[N+](=O)[O-]
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.
4-Hydroxy-N,N,N-trimethyl-7-((6-((7-nitro-2,1,3-benzoxadiazol-4-yl)amino)-1-oxohexyl)oxy)-10-oxo-3,5,9-trioxa-4-phosphapentacosan-1-aminium inner salt 4-oxide is identified by CAS 81005-34-7, with molecular formula C36H62N5O11P, molecular weight 771.9, InChIKey RIWWBDCNFJKLCV-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.
Ordering
Quote required
Pricing and stock are confirmed on request.
Send the quantity and destination for a current sourcing check.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
53
H-bond acceptors
16
H-bond donors
1
Rotatable bonds
32
Ring count
2
Aromatic rings
2
Topological polar surface area
205.28 Ų
Computed LogP
7.25
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
90 g/mol, PubChem CID 123753.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.