Research chemical
CAS Number: 2757287-36-6
![(11bR)-N-(2,6-Bis(4-trifluoromethylphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide molecular structure, CAS 2757287-36-6](/structure-images/2757287-36-6.png?v=struct-v3)
Product details
PubChem CID
162393951
Exact Mass
767.05778
InChIKey
AQUSPPUKRGDGAJ-UHFFFAOYSA-N
IUPAC Name
1,1,1-trifluoro-N-[13-oxo-10,16-bis[4-(trifluoromethyl)phenyl]-12,14-dioxa-13lambda5-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl]methanesulfonamide
SMILES String
O=P1(OC2=C(C3=CC=CC=C3C=C2C4=CC=C(C=C4)C(F)(F)F)C5=C6C=CC=CC6=CC(C7=CC=C(C=C7)C(F)(F)F)=C5O1)NS(=O)(C(F)(F)F)=O
(11bR)-N-(2,6-Bis(4-trifluoromethylphenyl)-4-oxidodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,1,1-trifluoromethanesulfonamide is identified by CAS 2757287-36-6, with molecular formula C35H19F9NO5PS, molecular weight 767.55, InChIKey AQUSPPUKRGDGAJ-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.
For laboratory research and professional procurement workflows.
No physical property values available.
XLogP
10.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
4
Ring count
7
Aromatic rings
6
Topological polar surface area
81.7 Ų
Computed LogP
11.35
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
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 - N-Heterocycle Ligand (CAS 2757287-36-6) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, 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.
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.
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
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.