Research chemical
CAS Number: 2517420-92-5
![(1S,2S)-2-[2-[[3-(1H-Benzimidazol-2-YL)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl cyclopropanecarboxylate dihydrochloride molecular structure, CAS 2517420-92-5](/structure-images/2517420-92-5.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
22447553
Exact Mass
563.248161
InChIKey
BCCQNBXHUMKLFW-UHFFFAOYSA-N
IUPAC Name
[2-[2-[3-(1H-benzimidazol-2-yl)propyl-methylamino]ethyl]-6-fluoro-1-propan-2-yl-3,4-dihydro-1H-naphthalen-2-yl] cyclopropanecarboxylate;dihydrochloride
SMILES String
CC(C)C1c2ccc(F)cc2CCC1(CCN(C)CCCc1nc2ccccc2[nH]1)OC(=O)C1CC1.Cl.Cl
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.
(1S,2S)-2-[2-[[3-(1H-Benzimidazol-2-YL)propyl]methylamino]ethyl]-6-fluoro-1,2,3,4-tetrahydro-1-(1-methylethyl)-2-naphthalenyl cyclopropanecarboxylate dihydrochloride is identified by CAS 2517420-92-5, with molecular formula C30H40Cl2FN3O2, molecular weight 564.6, InChIKey BCCQNBXHUMKLFW-UHFFFAOYSA-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
38
H-bond acceptors
5
H-bond donors
1
Rotatable bonds
10
Ring count
5
Aromatic rings
3
Topological polar surface area
58.22 Ų
Computed LogP
6.88
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
60 g/mol, PubChem CID 22447553.
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.
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