Research chemical
CAS Number: 114517-02-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71328
Exact Mass
499.118474
InChIKey
UXTSQCOOUJTIAC-UHFFFAOYSA-N
IUPAC Name
benzyl (3-methyl-14,21-dioxo-11-azapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1,4,6,8,12,15(20),16,18-octaen-16-yl) hydrogen phosphate
SMILES String
CC1C2=CC=CC=C2CN3C1=C4C(=C3)C(=O)C5=C(C4=O)C=CC=C5OP(=O)(O)OCC6=CC=CC=C6
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.
Fosquidone is identified by CAS 114517-02-1, with molecular formula C28H22NO6P, molecular weight 499.4, InChIKey UXTSQCOOUJTIAC-UHFFFAOYSA-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
36
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
5
Ring count
6
Aromatic rings
4
Topological polar surface area
94.83 Ų
Computed LogP
5.47
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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
Fosquidone (CAS 114517-02-1) is maintained as a cataloged research chemical with formula C28H22NO6P, molecular weight 499. 40 g/mol, PubChem CID 71328.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif, 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.