Research chemical
CAS Number: 4965-99-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
14167357
Exact Mass
468.396731
InChIKey
MBVFYSHTXNMYNB-UHFFFAOYSA-N
IUPAC Name
(3a,5a,8,8,11b,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,9,10,11,11a,12,13,13b-tetradecahydrocyclopenta[a]chrysen-9-yl) acetate
SMILES String
CC(=O)OC1CCC2C(=CCC3C2(C)CCC2(C)C4CCC(C(C)C)C4(C)CCC32C)C1(C)C
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.
Simiarel acetate is identified by CAS 4965-99-5, with molecular formula C32H52O2, molecular weight 468.8, InChIKey MBVFYSHTXNMYNB-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.
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
34
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
2
Ring count
5
Aromatic rings
0
Topological polar surface area
26.3 Ų
Computed LogP
8.6
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
Simiarel acetate (CAS 4965-99-5) is maintained as a commercial cas reference with formula C32H52O2, molecular weight 468. 80 g/mol, PubChem CID 14167357.
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.