Research chemical
CAS Number: 5801-91-2
![9-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione molecular structure, CAS 5801-91-2](/structure-images/5801-91-2.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1824719
Exact Mass
564.191481
InChIKey
HGEVGUOJFKTXJY-UHFFFAOYSA-N
IUPAC Name
9-[4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl]-3,3,6,6-tetramethyl-4,5,7,9-tetrahydro-2H-xanthene-1,8-dione
SMILES String
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1cc2c(cc1Cl)OCO2
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
9-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione is identified by CAS 5801-91-2, with molecular formula C32H33ClO7, molecular weight 565, InChIKey HGEVGUOJFKTXJY-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
40
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
5
Ring count
6
Aromatic rings
2
Topological polar surface area
80.29 Ų
Computed LogP
7.06
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
9-{4-[(6-chloro-1,3-benzodioxol-5-yl)methoxy]-3-methoxyphenyl}-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione (CAS 5801-91-2) is maintained as a commercial cas reference with formula C32H33ClO7, molecular weight 565.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.