Research chemical
CAS Number: 1047657-05-5
![(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-(butyryloxy)acetyl)-9-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-11,17-diyl dibutyrate molecular structure, CAS 1047657-05-5](/structure-images/1047657-05-5.png?v=struct-v3)
Product details
PubChem CID
16403129
Exact Mass
602.325497
InChIKey
QKTADHMUJJPNMQ-RHAPJLOSSA-N
IUPAC Name
[2-[(8S,9R,10S,11S,13S,14S,16R,17R)-11,17-di(butanoyloxy)-9-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] butanoate
SMILES String
CCCC(=O)OCC(=O)[C@@]1(OC(=O)CCC)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CCC)C[C@@]21C
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
(8S,9R,10S,11S,13S,14S,16R,17R)-17-(2-(butyryloxy)acetyl)-9-fluoro-10,13,16-trimethyl-3-oxo-6,7,8,9,10,11,12,13,14,15,16,17-dodecahydro-3H-cyclopenta[a]phenanthrene-11,17-diyl dibutyrate is identified by CAS 1047657-05-5, with molecular formula C34H47FO8, molecular weight 602.7, InChIKey QKTADHMUJJPNMQ-RHAPJLOSSA-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.
For laboratory research and professional procurement workflows.
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
8
H-bond donors
0
Rotatable bonds
11
Ring count
4
Aromatic rings
0
Topological polar surface area
113.04 Ų
Computed LogP
5.95
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
70 g/mol, PubChem CID 16403129.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.