Research chemical
CAS Number: 21059-42-7
![Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate molecular structure, CAS 21059-42-7](/structure-images/21059-42-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
89425
Exact Mass
490.293054
InChIKey
ZVEMQMLASDHXDY-UHFFFAOYSA-N
IUPAC Name
methyl 4-(3-ethoxycarbonyloxy-10,13-dimethyl-7,12-dioxo-2,3,4,5,6,8,9,11,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl)pentanoate
SMILES String
CCOC(=O)OC1CCC2(C(C1)CC(=O)C3C2CC(=O)C4(C3CCC4C(C)CCC(=O)OC)C)C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate is identified by CAS 21059-42-7, with molecular formula C28H42O7, molecular weight 490.6, InChIKey ZVEMQMLASDHXDY-UHFFFAOYSA-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
35
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
6
Ring count
4
Aromatic rings
0
Topological polar surface area
95.97 Ų
Computed LogP
5.13
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
Methyl 3alpha-[(ethoxycarbonyl)oxy]-7,12-dioxo-5beta-cholan-24-oate (CAS 21059-42-7) is maintained as a commercial cas reference with formula C28H42O7, molecular weight 490. 60 g/mol, PubChem CID 89425.
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.