Research chemical
CAS Number: 496054-60-5
![5-hydroxy-4-[(3-methoxybenzyl)sulfonyl]-3a,7a-dimethyloctahydro-1H-inden-1-yl acetate molecular structure, CAS 496054-60-5](/structure-images/496054-60-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
11841576
Exact Mass
410.17631
InChIKey
RYUPDZNILOBBPL-XBFLDVLASA-N
IUPAC Name
[(1R,3aR,7aS)-5-hydroxy-4-[(3-methoxyphenyl)methylsulfonyl]-3a,7a-dimethyl-2,3,4,5,6,7-hexahydro-1H-inden-1-yl] acetate
SMILES String
COc1cccc(CS(=O)(=O)C2C(O)CC[C@]3(C)[C@H](OC(C)=O)CC[C@@]23C)c1
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.
5-hydroxy-4-[(3-methoxybenzyl)sulfonyl]-3a,7a-dimethyloctahydro-1H-inden-1-yl acetate is identified by CAS 496054-60-5, with molecular formula C21H30O6S, molecular weight 410.5, InChIKey RYUPDZNILOBBPL-XBFLDVLASA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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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
28
H-bond acceptors
6
H-bond donors
1
Rotatable bonds
5
Ring count
3
Aromatic rings
1
Topological polar surface area
89.9 Ų
Computed LogP
2.87
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
5-hydroxy-4-[(3-methoxybenzyl)sulfonyl]-3a,7a-dimethyloctahydro-1H-inden-1-yl acetate (CAS 496054-60-5) is maintained as a commercial cas reference with formula C21H30O6S, molecular weight 410. 50 g/mol, PubChem CID 11841576.
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; structure-derived tags include drug-like rule profile.
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.