Research chemical
CAS Number: 1039715-05-3
![(3beta)-cholest-5-en-3-yl [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate molecular structure, CAS 1039715-05-3](/structure-images/1039715-05-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16396794
Exact Mass
602.397125
InChIKey
IZYSQEAJYKMVQY-ZJUJYQCMSA-N
IUPAC Name
[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 2-(4-methyl-2-oxochromen-7-yl)oxyacetate
SMILES String
Cc1cc(=O)oc2cc(OCC(=O)O[C@H]3CC[C@@]4(C)C(=CC[C@H]5[C@@H]6CC[C@H]([C@H](C)CCCC(C)C)[C@@]6(C)CC[C@@H]54)C3)ccc12
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(3beta)-cholest-5-en-3-yl [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate is identified by CAS 1039715-05-3, with molecular formula C39H54O5, molecular weight 602.8, InChIKey IZYSQEAJYKMVQY-ZJUJYQCMSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
9
Ring count
6
Aromatic rings
2
Topological polar surface area
65.74 Ų
Computed LogP
9.43
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
(3beta)-cholest-5-en-3-yl [(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetate (CAS 1039715-05-3) is maintained as a commercial cas reference with formula C39H54O5, molecular weight 602. 80 g/mol, PubChem CID 16396794.
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.