Research chemical
CAS Number: 2742732-92-7
![(2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide molecular structure, CAS 2742732-92-7](/structure-images/2742732-92-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
169922490
Exact Mass
830.487688
InChIKey
KBTKRNXLECYGBY-NERSTHRASA-N
SMILES String
CCCNNC(=O)c1ccc(N2CCN(CCCCCCCC(=O)N[C@H](C(=O)N3C[C@H](O)C[C@H]3C(=O)N[C@@H](C)c3ccc(-c4scnc4C)cc3)C(C)(C)C)CC2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
(2S,4R)-1-[(2S)-3,3-dimethyl-2-[8-[4-[4-(propylaminocarbamoyl)phenyl]piperazin-1-yl]octanoylamino]butanoyl]-4-hydroxy-N-[(1S)-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]pyrrolidine-2-carboxamide is identified by CAS 2742732-92-7, with molecular formula C45H66N8O5S, molecular weight 831.1, InChIKey KBTKRNXLECYGBY-NERSTHRASA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
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Heavy atom count
59
H-bond acceptors
13
H-bond donors
5
Rotatable bonds
19
Ring count
5
Aromatic rings
3
Topological polar surface area
159.24 Ų
Computed LogP
5.6
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
10 g/mol, PubChem CID 169922490.
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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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.