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Computed Structure Descriptors
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What are the key identifiers for N-[2-[2-[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanamide (CAS 2858812-91-4)?
N-[2-[2-[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanamide is identified by CAS 2858812-91-4, with molecular formula C46H57N11O8, molecular weight 892, InChIKey ZYUOWVKGQBMNGW-UHFFFAOYSA-N.
Can I request a COA for CAS 2858812-91-4?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N-[2-[2-[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanamide?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 2858812-91-4 available for quotation?
Show calculated structure fields
Heavy atom count
65
H-bond acceptors
19
H-bond donors
3
Rotatable bonds
21
Ring count
7
Aromatic rings
5
Topological polar surface area
205.66 Ų
Computed LogP
2.99
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.
Catalog Facts
Structural features
00 g/mol, PubChem CID 162624810.
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.
![N-[2-[2-[2-[4-[4-[[1-[6-(2-hydroxypropan-2-yl)-2-pyridinyl]-3-oxo-2-prop-2-enylpyrazolo[3,4-d]pyrimidin-6-yl]amino]phenyl]piperazin-1-yl]ethoxy]ethoxy]ethyl]-3-[5-(2-oxo-4-prop-2-enoylpiperazin-1-yl)furan-2-yl]propanamide molecular structure, CAS 2858812-91-4](/structure-images/2858812-91-4.png?v=struct-v2)