Research chemical
CAS Number: 1008061-73-1
![Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate molecular structure, CAS 1008061-73-1](/structure-images/1008061-73-1.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2982811
Exact Mass
412.06338
InChIKey
HRXUBYMASKBDIT-UHFFFAOYSA-N
IUPAC Name
ethyl 2-[1-[2-(4-bromo-2-methylphenoxy)acetyl]-3-oxopiperazin-2-yl]acetate
SMILES String
CCOC(=O)CC1C(=O)NCCN1C(=O)COc1ccc(Br)cc1C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate is identified by CAS 1008061-73-1, with molecular formula C17H21BrN2O5, molecular weight 413.3, InChIKey HRXUBYMASKBDIT-UHFFFAOYSA-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.
XLogP
1.8
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
25
H-bond acceptors
7
H-bond donors
1
Rotatable bonds
6
Ring count
2
Aromatic rings
1
Topological polar surface area
84.94 Ų
Computed LogP
1.42
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
Ethyl {1-[(4-bromo-2-methylphenoxy)acetyl]-3-oxo-2-piperazinyl}acetate (CAS 1008061-73-1) is an English MolGraph catalog reference, molecular formula C17H21BrN2O5 and molecular weight 413. 30 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.