Research chemical
CAS Number: 254452-88-5
Product details
For laboratory research and professional procurement workflows.
PubChem CID
117587679
Exact Mass
880.284814
InChIKey
RHGYHLPFVJEAOC-DHYXZBNNSA-L
IUPAC Name
calcium bis((E,3S,5R)-7-[2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl]-3,5-dihydroxyhept-6-enoate)
SMILES String
C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](O)C[C@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.C1C(C1)C2=NC3=CC=CC=C3C(=C2/C=C/[C@H](O)C[C@H](O)CC(=O)[O-])C4=CC=C(C=C4)F.[Ca+2]
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.
Calcium (3S,5R,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate is identified by CAS 254452-88-5, with molecular formula C50H46CaF2N2O8, molecular weight 881, InChIKey RHGYHLPFVJEAOC-DHYXZBNNSA-L.
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
63
H-bond acceptors
10
H-bond donors
4
Rotatable bonds
16
Ring count
8
Aromatic rings
6
Topological polar surface area
186.96 Ų
Computed LogP
5.99
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
Calcium (3S,5R,E)-7-(2-cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)-3,5-dihydroxyhept-6-enoate (CAS 254452-88-5) is listed in the Advanced Chemicals portfolio, with molecular formula C50H46CaF2N2O8 and molecular weight 881. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H361; storage: ,; For research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestAvailability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference