Research chemical
CAS Number: 304689-02-9
![5,5'-(1,3,5,7-Tetraoxopyrrolo[3,4-f]isoindole-2,6(1H,3H,5H,7H)-diyl)diisophthalic acid molecular structure, CAS 304689-02-9](/structure-images/304689-02-9.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4202711
Exact Mass
544.039024
InChIKey
VNXPQNLCRTWKSB-UHFFFAOYSA-N
IUPAC Name
5-[2-(3,5-dicarboxyphenyl)-1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-6-yl]benzene-1,3-dicarboxylic acid
SMILES String
O=C(O)c1cc(C(=O)O)cc(-n2c(=O)c3cc4c(=O)n(-c5cc(C(=O)O)cc(C(=O)O)c5)c(=O)c4cc3c2=O)c1
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.
5,5'-(1,3,5,7-Tetraoxopyrrolo[3,4-f]isoindole-2,6(1H,3H,5H,7H)-diyl)diisophthalic acid is identified by CAS 304689-02-9, with molecular formula C26H12N2O12, molecular weight 544.4, InChIKey VNXPQNLCRTWKSB-UHFFFAOYSA-N.
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.
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
6
Ring count
5
Aromatic rings
5
Topological polar surface area
227.34 Ų
Computed LogP
0.68
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
5,5'-(1,3,5,7-Tetraoxopyrrolo[3,4-f]isoindole-2,6(1H,3H,5H,7H)-diyl)diisophthalic acid (CAS 304689-02-9) is maintained as a commercial cas reference with formula C26H12N2O12, molecular weight 544. 40 g/mol, PubChem CID 4202711.
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.