Research chemical
CAS Number: 588685-47-6
![2-[Methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-(2-methoxyphenyl)quinoline-4-carboxylate molecular structure, CAS 588685-47-6](/structure-images/588685-47-6.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4499683
Exact Mass
499.149183
InChIKey
YFCSLXYZKHIFRO-UHFFFAOYSA-N
IUPAC Name
2-[methyl-(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]ethyl 2-(2-methoxyphenyl)quinoline-4-carboxylate
SMILES String
COc1ccccc1-c1cc(C(=O)OCCN(C)c2ccc([N+](=O)[O-])c3nonc23)c2ccccc2n1
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.
2-[Methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-(2-methoxyphenyl)quinoline-4-carboxylate is identified by CAS 588685-47-6, with molecular formula C26H21N5O6, molecular weight 499.5, InChIKey YFCSLXYZKHIFRO-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.
Heavy atom count
37
H-bond acceptors
11
H-bond donors
0
Rotatable bonds
8
Ring count
5
Aromatic rings
5
Topological polar surface area
133.72 Ų
Computed LogP
4.65
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
2-[Methyl(7-nitro-2,1,3-benzoxadiazol-4-yl)amino]ethyl 2-(2-methoxyphenyl)quinoline-4-carboxylate (CAS 588685-47-6) is maintained as a commercial cas reference with formula C26H21N5O6, molecular weight 499. 50 g/mol, PubChem CID 4499683.
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.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.