Research chemical
CAS Number: 402474-75-3
![6-Chloro-3-[2-[[2-[[3-(4-hydroxyphenyl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4,5-dioxohexanoic acid molecular structure, CAS 402474-75-3](/structure-images/402474-75-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
172640242
Exact Mass
752.260641
InChIKey
QUAFAFUOWPAXMI-UHFFFAOYSA-N
SMILES String
CC(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)CCCCC1SCC2NC(=O)NC21)C(C)C)C(=O)NC(CC(=O)O)C(=O)C(=O)CCl
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.
6-Chloro-3-[2-[[2-[[3-(4-hydroxyphenyl)-2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]propanoyl]amino]-3-methylbutanoyl]amino]propanoylamino]-4,5-dioxohexanoic acid is identified by CAS 402474-75-3, with molecular formula C33H45ClN6O10S, molecular weight 753.3, InChIKey QUAFAFUOWPAXMI-UHFFFAOYSA-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.
Ordering
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Heavy atom count
51
H-bond acceptors
16
H-bond donors
8
Rotatable bonds
20
Ring count
3
Aromatic rings
1
Topological polar surface area
249.2 Ų
Computed LogP
0.13
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 172640242.
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.