Research chemical
CAS Number: 220446-74-2
![Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate molecular structure, CAS 220446-74-2](/structure-images/220446-74-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
53485200
Exact Mass
596.968183
InChIKey
LZWUCYAVMIKMIA-UHFFFAOYSA-M
IUPAC Name
sodium 1-[3-[2-[(4-azido-2,3,5,6-tetrafluorobenzoyl)amino]ethyldisulfanyl]propanoyloxy]-2,5-dioxopyrrolidine-3-sulfonate
SMILES String
[N-]=[N+]=Nc1c(F)c(F)c(C(=O)NCCSSCCC(=O)ON2C(=O)CC(S(=O)(=O)[O-])C2=O)c(F)c1F.[Na+]
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate is identified by CAS 220446-74-2, with molecular formula C16H12F4N5NaO8S3, molecular weight 597.5, InChIKey LZWUCYAVMIKMIA-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
37
H-bond acceptors
13
H-bond donors
1
Rotatable bonds
11
Ring count
2
Aromatic rings
1
Topological polar surface area
198.74 Ų
Computed LogP
-1.18
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
Sodium 1-[(3-{[2-(4-azido-2,3,5,6-tetrafluorobenzamido)ethyl]disulfanyl}propanoyl)oxy]-2,5-dioxopyrrolidine-3-sulfonate (CAS 220446-74-2) is maintained as a commercial cas reference with formula C16H12F4N5NaO8S3, molecular weight 597.
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.