Research chemical
CAS Number: 112537-96-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
6897752
Exact Mass
278.028734
InChIKey
LIELVKLOFLWIGJ-YDWXAUTNSA-N
IUPAC Name
(E)-1-(5-nitrofuran-2-yl)-N-[(E)-(5-nitrofuran-2-yl)methylideneamino]methanimine
SMILES String
O=[N+]([O-])c1ccc(/C=N/N=C/c2ccc([N+](=O)[O-])o2)o1
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.
2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone is identified by CAS 112537-96-9, with molecular formula C10H6N4O6, molecular weight 278.18, InChIKey LIELVKLOFLWIGJ-YDWXAUTNSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Nuclear receptor ROR-gamma, Microtubule-associated protein tau, Microphthalmia-associated transcription factor, Tyrosyl-DNA phosphodiesterase 1, Nuclear factor erythroid 2-related factor 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.
Heavy atom count
20
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
137.28 Ų
Computed LogP
2.14
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
2-Furancarboxaldehyde, 5-nitro-, ((5-nitro-2-furanyl)methylene)hydrazone (CAS 112537-96-9) is maintained as a commercial cas reference with formula C10H6N4O6, molecular weight 278. 18 g/mol, PubChem CID 6897752.
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.
ChEMBL reports experimental activity evidence for: Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Microtubule-associated protein tau (Homo sapiens) — 3 assays; Microphthalmia-associated transcription factor (Homo sapiens) — 4 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 3 assays; Nuclear factor erythroid 2-related factor 2 (Homo sapiens) — 3 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.95
Experimental evidence source: ChEMBL
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 5.2
Experimental evidence source: ChEMBL
Microphthalmia-associated transcription factor
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 5.03
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
Nuclear factor erythroid 2-related factor 2
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.