Research chemical
CAS Number: 53538-13-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
13844658
Exact Mass
460.100561
InChIKey
XXKIWCKZQFBXIR-SXFAUFNYSA-N
IUPAC Name
methyl (2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylate
SMILES String
COC(=O)[C@H]1O[C@@H](Oc2cc(O)c3c(=O)cc(-c4ccc(O)cc4)oc3c2)[C@H](O)[C@@H](O)[C@@H]1O
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.
Apigenin-7-O-Beta-D-Glucuronide Methyl Ester is identified by CAS 53538-13-9, with molecular formula C22H20O11, molecular weight 460.4, InChIKey XXKIWCKZQFBXIR-SXFAUFNYSA-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.
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
33
H-bond acceptors
11
H-bond donors
5
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
176.12 Ų
Computed LogP
0.23
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
Apigenin-7-O-Beta-D-Glucuronide Methyl Ester (CAS 53538-13-9) is maintained as a commercial cas reference with formula C22H20O11, molecular weight 460. 40 g/mol, PubChem CID 13844658.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.