Research chemical
CAS Number: 111399-97-4
![Diisopropyl 2,6-dimethyl-4-[5-(3-nitrophenyl)-2-furyl]-1,4-dihydro-3,5-pyridinedicarboxylate molecular structure, CAS 111399-97-4](/structure-images/111399-97-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1523960
Exact Mass
468.189651
InChIKey
JFMAJLPKTWNAFC-UHFFFAOYSA-N
IUPAC Name
dipropan-2-yl 2,6-dimethyl-4-[5-(3-nitrophenyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
SMILES String
CC1=C(C(=O)OC(C)C)C(c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(=O)OC(C)C)=C(C)N1
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.
Diisopropyl 2,6-dimethyl-4-[5-(3-nitrophenyl)-2-furyl]-1,4-dihydro-3,5-pyridinedicarboxylate is identified by CAS 111399-97-4, with molecular formula C25H28N2O7, molecular weight 468.5, InChIKey JFMAJLPKTWNAFC-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
34
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
7
Ring count
3
Aromatic rings
2
Topological polar surface area
120.91 Ų
Computed LogP
4.99
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
Diisopropyl 2,6-dimethyl-4-[5-(3-nitrophenyl)-2-furyl]-1,4-dihydro-3,5-pyridinedicarboxylate (CAS 111399-97-4) is maintained as a cataloged research chemical with formula C25H28N2O7, molecular weight 468. 50 g/mol, PubChem CID 1523960.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSupplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference