Research chemical
CAS Number: 105080-50-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
59911
Exact Mass
686.178883
InChIKey
SMCMGLCPSSSOQE-NTZARQNWSA-N
IUPAC Name
4-N-(4-chlorophenyl)sulfonyl-1-N-[(2S)-3-methyl-1-oxo-1-[[(2S)-1-(1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl)pyrrolidine-2-carbonyl]amino]butan-2-yl]benzene-1,4-dicarboxamide
SMILES String
CC(C)[C@@H](C(=O)NC(=O)[C@@H]1CCCN1C(C(C)C)C(=O)C(F)(F)F)NC(=O)C2=CC=C(C=C2)C(=O)NS(=O)(=O)C3=CC=C(C=C3)Cl
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Ici 200880 is identified by CAS 105080-50-0, with molecular formula C30H34ClF3N4O7S, molecular weight 687.1, InChIKey SMCMGLCPSSSOQE-NTZARQNWSA-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.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
46
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
11
Ring count
3
Aromatic rings
2
Topological polar surface area
158.82 Ų
Computed LogP
3.48
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
Ici 200880 (CAS 105080-50-0) is maintained as a cataloged research chemical with formula C30H34ClF3N4O7S, molecular weight 687. 10 g/mol, PubChem CID 59911.
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.
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.