Research chemical
CAS Number: 1493790-73-0
![N-[(11BR)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide molecular structure, CAS 1493790-73-0](/structure-images/1493790-73-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
68022750
Exact Mass
463.025501
InChIKey
GRVVEHJKSSFTKA-UHFFFAOYSA-N
IUPAC Name
N-(12,14-dioxa-13-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)-1,1,1-trifluoromethanesulfonamide
SMILES String
O=S(=O)(Np1oc2ccc3ccccc3c2c2c(ccc3ccccc32)o1)C(F)(F)F
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.
N-[(11BR)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide is identified by CAS 1493790-73-0, with molecular formula C21H13F3NO4PS, molecular weight 463.4, InChIKey GRVVEHJKSSFTKA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
31
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
2
Ring count
5
Aromatic rings
5
Topological polar surface area
72.45 Ų
Computed LogP
6.99
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
N-[(11BR)-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl]-1,1,1-trifluoromethanesulfonamide (CAS 1493790-73-0) is maintained as a commercial cas reference with formula C21H13F3NO4PS, molecular weight 463. 40 g/mol, PubChem CID 68022750.
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.
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.