Research chemical
CAS Number: 111697-45-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
683745
Exact Mass
206.069142
InChIKey
MKPVZXQHWYYJMY-UHFFFAOYSA-N
IUPAC Name
6-ethoxy-1,4-dihydroquinoxaline-2,3-dione
SMILES String
CCOc1ccc2nc(O)c(O)nc2c1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
6-Ethoxy-2,3-quinoxalinediol is identified by CAS 111697-45-1, with molecular formula C10H10N2O3, molecular weight 206.2, InChIKey MKPVZXQHWYYJMY-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Estrogen receptor beta, 3-hydroxyacyl-CoA dehydrogenase type-2. These records do not establish therapeutic efficacy or clinical use.
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.
Heavy atom count
15
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
2
Ring count
2
Aromatic rings
2
Topological polar surface area
75.47 Ų
Computed LogP
1.44
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
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
6-Ethoxy-2,3-quinoxalinediol (CAS 111697-45-1) is maintained as a commercial cas reference with formula C10H10N2O3, molecular weight 206. 20 g/mol, PubChem CID 683745.
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, fragment-like structure profile, lead-like structure profile, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Estrogen receptor beta (Homo sapiens) — 2 assays; 3-hydroxyacyl-CoA dehydrogenase type-2 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Estrogen receptor beta
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.91
Experimental evidence source: ChEMBL
3-hydroxyacyl-CoA dehydrogenase type-2
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.