Research chemical
CAS Number: 463962-56-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46782919
Exact Mass
612.314577
InChIKey
PBLYTKVVBICSHZ-AWTWTUOQSA-N
IUPAC Name
(3R,6R)-6-[(3R,5R)-7-[(1S,2S,6R,8S,8aR)-8-(2,2-dimethylbutanoyloxy)-2,6-dimethyl-1,2,6,7,8,8a-hexahydronaphthalen-1-yl]-3,5-dihydroxyheptanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
SMILES String
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H](O)C[C@@H](O)CC(=O)O[C@H]3OC(C(=O)O)[C@H](O)C(O)C3O)[C@H]21
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Simvastatin Acyl-beta-D-glucuronide is identified by CAS 463962-56-3, with molecular formula C31H48O12, molecular weight 612.7, InChIKey PBLYTKVVBICSHZ-AWTWTUOQSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
12
H-bond donors
6
Rotatable bonds
12
Ring count
3
Aromatic rings
0
Topological polar surface area
200.28 Ų
Computed LogP
1.46
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
Simvastatin Acyl-beta-D-glucuronide (CAS 463962-56-3) is maintained as a commercial cas reference with formula C31H48O12, molecular weight 612. 70 g/mol, PubChem CID 46782919.
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.