Research chemical
CAS Number: 68516-73-4
![1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester molecular structure, CAS 68516-73-4](/structure-images/68516-73-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
109448
Exact Mass
716.20782
InChIKey
BZKXDIAAIOXKAH-UHFFFAOYSA-N
IUPAC Name
dimethyl 2-[[1-[4-[[2-[[2,5-bis(methoxycarbonyl)phenyl]diazenyl]-3-oxobutanoyl]amino]anilino]-1,3-dioxobutan-2-yl]diazenyl]benzene-1,4-dicarboxylate
SMILES String
CC(=O)C(C(=O)NC1=CC=C(C=C1)NC(=O)C(C(=O)C)N=NC2=C(C=CC(=C2)C(=O)OC)C(=O)OC)N=NC3=C(C=CC(=C3)C(=O)OC)C(=O)OC
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.
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester is identified by CAS 68516-73-4, with molecular formula C34H32N6O12, molecular weight 716.6, InChIKey BZKXDIAAIOXKAH-UHFFFAOYSA-N.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
52
H-bond acceptors
18
H-bond donors
2
Rotatable bonds
14
Ring count
3
Aromatic rings
3
Topological polar surface area
246.98 Ų
Computed LogP
4.19
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
1,4-Benzenedicarboxylic acid, 2,2'-[1,4-phenylenebis[imino(1-acetyl-2-oxo-2,1-ethanediyl)-2,1-diazenediyl]]bis-, 1,1',4,4'-tetramethyl ester (CAS 68516-73-4) is maintained as a commercial cas reference with formula C34H32N6O12, molecular weight 716.
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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