Research chemical
CAS Number: 2452519-05-8
![Cyclohexanecarboxylic acid, 3-[[2-[(acetyloxy)methyl]-6-bromo-3-pyridinyl]oxy]-, 1-methylethyl ester, (1R,3R)-rel- molecular structure, CAS 2452519-05-8](/structure-images/2452519-05-8.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
168498922
Exact Mass
413.08379
InChIKey
ABBSVJMLSZRDKG-KBPBESRZSA-N
IUPAC Name
trans-propan-2-yl (1S,3S)-3-[[2-(acetyloxymethyl)-6-bromo-3-pyridinyl]oxy]cyclohexane-1-carboxylate
SMILES String
CC(=O)OCc1nc(Br)ccc1O[C@H]1CCC[C@H](C(=O)OC(C)C)C1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Cyclohexanecarboxylic acid, 3-[[2-[(acetyloxy)methyl]-6-bromo-3-pyridinyl]oxy]-, 1-methylethyl ester, (1R,3R)-rel- is identified by CAS 2452519-05-8, with molecular formula C18H24BrNO5, molecular weight 414.3, InChIKey ABBSVJMLSZRDKG-KBPBESRZSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
25
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
6
Ring count
2
Aromatic rings
1
Topological polar surface area
74.72 Ų
Computed LogP
3.8
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.
Structural features
Cyclohexanecarboxylic acid, 3-[[2-[(acetyloxy)methyl]-6-bromo-3-pyridinyl]oxy]-, 1-methylethyl ester, (1R,3R)-rel- (CAS 2452519-05-8) is maintained as a commercial cas reference with formula C18H24BrNO5, molecular weight 414. 30 g/mol, PubChem CID 168498922.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.