Research chemical
CAS Number: 2004675-26-5
![Methyl ((S)-1-((S)-6-(5-(7-(2-((1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]iMidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate (hydrochloride) molecular structure, CAS 2004675-26-5](/structure-images/2004675-26-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
78358310
Exact Mass
767.316222
InChIKey
AQKYHXNZELZVPO-BLYDQPPASA-N
IUPAC Name
methyl N-[(2S)-1-[(6S)-6-[5-[7-[2-[(1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl]-3H-benzimidazol-5-yl]-9,9-difluorofluoren-2-yl]-1H-imidazol-2-yl]-5-azaspiro[2.4]heptan-5-yl]-3-methyl-1-oxobutan-2-yl]carbamate;hydrochloride
SMILES String
COC(=O)N[C@H](C(=O)N1CC2(CC2)C[C@H]1c1ncc(-c2ccc3c(c2)C(F)(F)c2cc(-c4ccc5nc([C@H]6N[C@@H]7CC[C@H]6C7)[nH]c5c4)ccc2-3)[nH]1)C(C)C.Cl
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.
Methyl ((S)-1-((S)-6-(5-(7-(2-((1R,3S,4S)-2-azabicyclo[2.2.1]heptan-3-yl)-1H-benzo[d]iMidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.4]heptan-5-yl)-3-Methyl-1-oxobutan-2-yl)carbaMate (hydrochloride) is identified by CAS 2004675-26-5, with molecular formula C42H44ClF2N7O3, molecular weight 768.3, InChIKey AQKYHXNZELZVPO-BLYDQPPASA-N.
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No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
55
H-bond acceptors
10
H-bond donors
4
Rotatable bonds
7
Ring count
10
Aromatic rings
5
Topological polar surface area
128.03 Ų
Computed LogP
8.41
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
Methyl ((S)-1-((S)-6-(5-(7-(2-((1R,3S,4S)-2-azabicyclo[2. 2. 1]heptan-3-yl)-1H-benzo[d]iMidazol-6-yl)-9,9-difluoro-9H-fluoren-2-yl)-1H-iMidazol-2-yl)-5-azaspiro[2.
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.