Research chemical
CAS Number: 254750-83-9
![Pentanoic acid, 3-[[(2S)-2-[[2-[[2-(1,1-dimethylethyl)phenyl]amino]-2-oxoacetyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)- molecular structure, CAS 254750-83-9](/structure-images/254750-83-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
73014201
Exact Mass
625.241113
InChIKey
RIUVUYDKONHLBC-YWZLYKJASA-N
IUPAC Name
tert-butyl (3S)-3-[[(2S)-2-[[2-(2-tert-butylanilino)-2-oxoacetyl]amino]propanoyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)pentanoate
SMILES String
C[C@H](NC(=O)C(=O)Nc1ccccc1C(C)(C)C)C(=O)N[C@@H](CC(=O)OC(C)(C)C)C(=O)COc1c(F)c(F)cc(F)c1F
No physical property values available.
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.
Pentanoic acid, 3-[[(2S)-2-[[2-[[2-(1,1-dimethylethyl)phenyl]amino]-2-oxoacetyl]amino]-1-oxopropyl]amino]-4-oxo-5-(2,3,5,6-tetrafluorophenoxy)-, 1,1-dimethylethyl ester, (3S)- is identified by CAS 254750-83-9, with molecular formula C30H35F4N3O7, molecular weight 625.6, InChIKey RIUVUYDKONHLBC-YWZLYKJASA-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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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
10
H-bond donors
3
Rotatable bonds
10
Ring count
2
Aromatic rings
2
Topological polar surface area
139.9 Ų
Computed LogP
3.85
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
60 g/mol, PubChem CID 73014201.
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, drug-like rule profile.
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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