Research chemical
CAS Number: 2417159-57-8
![(2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide molecular structure, CAS 2417159-57-8](/structure-images/2417159-57-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164889480
Exact Mass
1034.483014
InChIKey
IXTMPMLKABNFTQ-LLIFGLRNSA-N
SMILES String
CC(=O)N1CCCN(c2nc(NCCc3cccs3)nc(N(C)CC(=O)NCCOCCOCCOCC(=O)N[C@H](C(=O)N3C[C@@H](O)C[C@@H]3C(=O)NCc3ccc(-c4scnc4C)cc3)C(C)(C)C)n2)CC1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
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(2R,4S)-1-[(2S)-2-[[2-[2-[2-[2-[[2-[[4-(4-acetyl-1,4-diazepan-1-yl)-6-(2-thiophen-2-ylethylamino)-1,3,5-triazin-2-yl]-methylamino]acetyl]amino]ethoxy]ethoxy]ethoxy]acetyl]amino]-3,3-dimethylbutanoyl]-4-hydroxy-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]pyrrolidine-2-carboxamide is identified by CAS 2417159-57-8, with molecular formula C49H70N12O9S2, molecular weight 1035.3, InChIKey IXTMPMLKABNFTQ-LLIFGLRNSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
72
H-bond acceptors
21
H-bond donors
5
Rotatable bonds
25
Ring count
6
Aromatic rings
4
Topological polar surface area
245.91 Ų
Computed LogP
2.49
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
30 g/mol, PubChem CID 164889480.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.