Research chemical
CAS Number: 68479-79-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
110359
Exact Mass
530.190045
InChIKey
YVEWFPRYDOIMKL-UHFFFAOYSA-N
IUPAC Name
2-methoxyethyl 3-[[4,8-dihydroxy-5-[[3-(2-methoxyethoxy)-3-oxopropyl]amino]-9,10-dioxoanthracen-1-yl]amino]propanoate
SMILES String
COCCOC(=O)CCNC1=C2C(=C(C=C1)O)C(=O)C3=C(C=CC(=C3C2=O)O)NCCC(=O)OCCOC
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.
beta-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester is identified by CAS 68479-79-8, with molecular formula C26H30N2O10, molecular weight 530.5, InChIKey YVEWFPRYDOIMKL-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
38
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
14
Ring count
3
Aromatic rings
2
Topological polar surface area
169.72 Ų
Computed LogP
1.86
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
beta-Alanine, N,N'-(9,10-dihydro-4,8-dihydroxy-9,10-dioxo-1,5-anthracenediyl)bis-, bis(2-methoxyethyl) ester (CAS 68479-79-8) is maintained as a commercial cas reference with formula C26H30N2O10, molecular weight 530. 50 g/mol, PubChem CID 110359.
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.