Research chemical
CAS Number: 313474-59-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
15391898
Exact Mass
508.14605
InChIKey
KSJCBAYFDFDDEM-QRXHXLOESA-N
IUPAC Name
(1S,2S,4R,8S,9S,11S,12R,13S)-12-bromo-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-14,17-dien-16-one
SMILES String
CCCC1O[C@@H]2C[C@H]3[C@@H]4CCC5=CC(=O)C=C[C@]5(C)[C@@]4(Br)[C@@H](O)C[C@]3(C)[C@]2(C(=O)CO)O1
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.
9alpha-Bromobudesonide is identified by CAS 313474-59-8, with molecular formula C25H33BrO6, molecular weight 509.4, InChIKey KSJCBAYFDFDDEM-QRXHXLOESA-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
32
H-bond acceptors
6
H-bond donors
2
Rotatable bonds
4
Ring count
5
Aromatic rings
0
Topological polar surface area
93.06 Ų
Computed LogP
3.23
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
9alpha-Bromobudesonide (CAS 313474-59-8) is maintained as a commercial cas reference with formula C25H33BrO6, molecular weight 509. 40 g/mol, PubChem CID 15391898.
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.