Research chemical
CAS Number: 1119226-97-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
100818731
Exact Mass
595.268236
InChIKey
XJPFRTCYDMQXMM-UHFFFAOYSA-N
IUPAC Name
5-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl]oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid
SMILES String
Cc1nc(C)c(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c2ccccc2)c(-c2cccc([N+](=O)[O-])c2)c1C(=O)O
No physical property values available.
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.
5-(1-(3,3-Diphenylpropyl(methyl)amino)-2-methylpropan-2-yl)oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid is identified by CAS 1119226-97-9, with molecular formula C35H37N3O6, molecular weight 595.7, InChIKey XJPFRTCYDMQXMM-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
44
H-bond acceptors
9
H-bond donors
1
Rotatable bonds
12
Ring count
4
Aromatic rings
4
Topological polar surface area
122.87 Ų
Computed LogP
7.06
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
5-(1-(3,3-Diphenylpropyl(methyl)amino)-2-methylpropan-2-yl)oxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)pyridine-3-carboxylic acid (CAS 1119226-97-9) is maintained as a cataloged research chemical with formula C35H37N3O6, molecular weight 595.
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.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; 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 RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.