Research chemical
CAS Number: 62698-54-8
![Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4) molecular structure, CAS 62698-54-8](/structure-images/62698-54-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
112916
Exact Mass
724.123301
InChIKey
KSMPPVYJZJBIES-UHFFFAOYSA-J
IUPAC Name
tetrasodium;2-[[5-[1-[3-[[bis(carboxylatomethyl)amino]methyl]-4-hydroxy-5-methylphenyl]-3-oxo-2-benzofuran-1-yl]-2-hydroxy-3-methylphenyl]methyl-(carboxylatomethyl)amino]acetate
SMILES String
CC1=CC(=CC(=C1O)CN(CC(=O)[O-])CC(=O)[O-])C2(C3=CC=CC=C3C(=O)O2)C4=CC(=C(C(=C4)C)O)CN(CC(=O)[O-])CC(=O)[O-].[Na+].[Na+].[Na+].[Na+]
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.
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4) is identified by CAS 62698-54-8, with molecular formula C32H28N2Na4O12, molecular weight 724.5, InChIKey KSMPPVYJZJBIES-UHFFFAOYSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
14
H-bond donors
2
Rotatable bonds
14
Ring count
4
Aromatic rings
3
Topological polar surface area
233.76 Ų
Computed LogP
-15.2
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
Glycine, N,N'-[(3-oxo-1(3H)-isobenzofuranylidene)bis[(6-hydroxy-5-methyl-3,1-phenylene)methylene]]bis[N-(carboxymethyl)-, sodium salt (1:4) (CAS 62698-54-8) is maintained as a commercial cas reference with formula C32H28N2Na4O12, molecular weight 724.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.