Research chemical
CAS Number: 444179-57-1
![2-[3-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-4-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid molecular structure, CAS 444179-57-1](/structure-images/444179-57-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
73805558
Exact Mass
538.111126
InChIKey
HFTLCJIFEZUOCR-UHFFFAOYSA-N
SMILES String
O=C(C=Cc1ccc(O)c(OC(=Cc2ccc(O)c(O)c2)C(=O)O)c1)OC(Cc1ccc(O)c(O)c1)C(=O)O
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.
2-[3-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-4-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid is identified by CAS 444179-57-1, with molecular formula C27H22O12, molecular weight 538.5, InChIKey HFTLCJIFEZUOCR-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.
Heavy atom count
39
H-bond acceptors
12
H-bond donors
7
Rotatable bonds
10
Ring count
3
Aromatic rings
3
Topological polar surface area
211.28 Ų
Computed LogP
2.97
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
2-[3-[3-[1-Carboxy-2-(3,4-dihydroxyphenyl)ethenoxy]-4-hydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid (CAS 444179-57-1) is maintained as a commercial cas reference with formula C27H22O12, molecular weight 538.
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.
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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