Research chemical
CAS Number: 2451512-57-3
![1-methyl-3-{[25,26,27,28-tetrakis(dodecyloxy)-11,17,23-tris[(1-methyl-1H-imidazol-3-ium-3-yl)methyl]pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-5-yl]methyl}-1H-imidazol-3-ium tetrachloride molecular structure, CAS 2451512-57-3](/structure-images/2451512-57-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
121199236
Exact Mass
1620.038171
InChIKey
FQMPSOYIEJYSIO-UHFFFAOYSA-J
IUPAC Name
1-methyl-3-[[25,26,27,28-tetradodecoxy-11,17,23-tris[(3-methylimidazol-3-ium-1-yl)methyl]-5-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]methyl]imidazol-1-ium tetrachloride
SMILES String
CCCCCCCCCCCCOc1c2cc(C[n+]3ccn(C)c3)cc1Cc1cc(C[n+]3ccn(C)c3)cc(c1OCCCCCCCCCCCC)Cc1cc(C[n+]3ccn(C)c3)cc(c1OCCCCCCCCCCCC)Cc1cc(C[n+]3ccn(C)c3)cc(c1OCCCCCCCCCCCC)C2.[Cl-].[Cl-].[Cl-].[Cl-]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
1-methyl-3-{[25,26,27,28-tetrakis(dodecyloxy)-11,17,23-tris[(1-methyl-1H-imidazol-3-ium-3-yl)methyl]pentacyclo[19.3.1.1^{3,7}.1^{9,13}.1^{15,19}]octacosa-1(25),3(28),4,6,9,11,13(27),15(26),16,18,21,23-dodecaen-5-yl]methyl}-1H-imidazol-3-ium tetrachloride is identified by CAS 2451512-57-3, with molecular formula C96H148Cl4N8O4, molecular weight 1620.1, InChIKey FQMPSOYIEJYSIO-UHFFFAOYSA-J.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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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
112
H-bond acceptors
12
H-bond donors
0
Rotatable bonds
56
Ring count
9
Aromatic rings
8
Topological polar surface area
72.16 Ų
Computed LogP
10.28
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
1-methyl-3-{[25,26,27,28-tetrakis(dodecyloxy)-11,17,23-tris[(1-methyl-1H-imidazol-3-ium-3-yl)methyl]pentacyclo[19. 3. 1. 1^{3,7}. 1^{9,13}.
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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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.