Research chemical
CAS Number: 2229856-58-8
![N-(2-Chloro-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)phenyl)-2-((4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethyl)piperazin-1-yl)methyl)quinoline-6-carboxamide molecular structure, CAS 2229856-58-8](/structure-images/2229856-58-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
135397706
Exact Mass
945.310033
InChIKey
MYFXVOSCUJQYET-UHFFFAOYSA-N
IUPAC Name
N-[2-chloro-5-(2,3-dihydro-1,4-benzodioxine-6-carbonylamino)phenyl]-2-[[4-[2-[2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]ethoxy]ethyl]piperazin-1-yl]methyl]quinoline-6-carboxamide
SMILES String
O=C1CCC(N2C(=O)c3cccc(OCCOCCOCCN4CCN(Cc5ccc6cc(C(=O)Nc7cc(NC(=O)c8ccc9c(c8)OCCO9)ccc7Cl)ccc6n5)CC4)c3C2=O)C(=O)N1
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.
N-(2-Chloro-5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)phenyl)-2-((4-(2-(2-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)oxy)ethoxy)ethoxy)ethyl)piperazin-1-yl)methyl)quinoline-6-carboxamide is identified by CAS 2229856-58-8, with molecular formula C49H48ClN7O11, molecular weight 946.4, InChIKey MYFXVOSCUJQYET-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
68
H-bond acceptors
18
H-bond donors
3
Rotatable bonds
17
Ring count
9
Aromatic rings
5
Topological polar surface area
207.27 Ų
Computed LogP
4.79
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
40 g/mol, PubChem CID 135397706.
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 nitrogen-containing heterocycle.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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