Research chemical
CAS Number: 113162-02-0
![[(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate molecular structure, CAS 113162-02-0](/structure-images/113162-02-0.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5187592
Exact Mass
464.186671
InChIKey
TXVNNFDXQZFMBQ-UHFFFAOYSA-N
SMILES String
CCC1CN2CCC1CC2C(OC(=O)c1ccc(Cl)cc1)c1ccnc2ccc(OC)cc12
No physical property values available.
XLogP
5.9
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
33
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
6
Ring count
6
Aromatic rings
3
Topological polar surface area
51.66 Ų
Computed LogP
5.92
Structural features
[(5-Ethyl-1-azabicyclo[2. 2. 2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate (CAS 113162-02-0) is listed in the Advanced Chemicals portfolio, with molecular formula C27H29ClN2O3 and molecular weight 465. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H315, H319, H335; For research use only.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
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.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
[(5-Ethyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methyl] 4-chlorobenzoate is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.