Research chemical
CAS Number: 2096496-06-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
118798512
Exact Mass
600.108367
InChIKey
YDSKTGHQJULECK-UHFFFAOYSA-N
IUPAC Name
2-[carboxymethyl-[2-(2,5-dioxopyrrol-1-yl)ethyl]amino]acetic acid;bis(4-methylbenzenesulfonic acid)
SMILES String
Cc1ccc(S(=O)(=O)O)cc1.Cc1ccc(S(=O)(=O)O)cc1.O=C(O)CN(CCN1C(=O)C=CC1=O)CC(=O)O
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.
2,2'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)diacetic acid bis-4-methylbenzenesulfonic acid salt is identified by CAS 2096496-06-7, with molecular formula C24H28N2O12S2, molecular weight 600.6, InChIKey YDSKTGHQJULECK-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.
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
40
H-bond acceptors
14
H-bond donors
4
Rotatable bonds
9
Ring count
3
Aromatic rings
2
Topological polar surface area
223.96 Ų
Computed LogP
0.87
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
2,2'-((2-(2,5-Dioxo-2,5-dihydro-1H-pyrrol-1-yl)ethyl)azanediyl)diacetic acid bis-4-methylbenzenesulfonic acid salt (CAS 2096496-06-7) is maintained as a commercial cas reference with formula C24H28N2O12S2, molecular weight 600. 60 g/mol, PubChem CID 118798512.
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.