Research chemical
CAS Number: 64611-94-5
![Acetamide, N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy- molecular structure, CAS 64611-94-5](/structure-images/64611-94-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
116642
Exact Mass
582.06849
InChIKey
CDYOIEJXFJYWAF-UHFFFAOYSA-N
IUPAC Name
N-[2-[(5-bromo-7-nitro-1,2-benzothiazol-4-yl)diazenyl]-5-(diethylamino)phenyl]-2-phenoxyacetamide
SMILES String
CCN(CC)C1=CC(=C(C=C1)N=NC2=C(C=C(C3=C2C=NS3)[N+](=O)[O-])Br)NC(=O)COC4=CC=CC=C4
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Acetamide, N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy- is identified by CAS 64611-94-5, with molecular formula C25H23BrN6O4S, molecular weight 583.5, InChIKey CDYOIEJXFJYWAF-UHFFFAOYSA-N.
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.
Heavy atom count
37
H-bond acceptors
10
H-bond donors
1
Rotatable bonds
10
Ring count
4
Aromatic rings
4
Topological polar surface area
122.32 Ų
Computed LogP
7.25
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
Acetamide, N-[2-[(5-bromo-7-nitro-1,2-benzisothiazol-4-yl)azo]-5-(diethylamino)phenyl]-2-phenoxy- (CAS 64611-94-5) is maintained as a commercial cas reference with formula C25H23BrN6O4S, molecular weight 583. 50 g/mol, PubChem CID 116642.
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.