Research chemical
CAS Number: 1471985-09-7
![Diethyl 5-[3,5-bis[3,5-bis(ethoxycarbonyl)phenyl]-2,4,6-trimethylphenyl]benzene-1,3-dicarboxylate molecular structure, CAS 1471985-09-7](/structure-images/1471985-09-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168665164
Exact Mass
780.314577
InChIKey
AIACBHRMJAGWDZ-UHFFFAOYSA-N
SMILES String
CCOC(=O)c1cc(C(=O)OCC)cc(-c2c(C)c(-c3cc(C(=O)OCC)cc(C(=O)OCC)c3)c(C)c(-c3cc(C(=O)OCC)cc(C(=O)OCC)c3)c2C)c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Diethyl 5-[3,5-bis[3,5-bis(ethoxycarbonyl)phenyl]-2,4,6-trimethylphenyl]benzene-1,3-dicarboxylate is identified by CAS 1471985-09-7, with molecular formula C45H48O12, molecular weight 780.9, InChIKey AIACBHRMJAGWDZ-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.
Heavy atom count
57
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
15
Ring count
4
Aromatic rings
4
Topological polar surface area
157.8 Ų
Computed LogP
8.67
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
Diethyl 5-[3,5-bis[3,5-bis(ethoxycarbonyl)phenyl]-2,4,6-trimethylphenyl]benzene-1,3-dicarboxylate (CAS 1471985-09-7) is maintained as a commercial cas reference with formula C45H48O12, molecular weight 780. 90 g/mol, PubChem CID 168665164.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.