Research chemical
CAS Number: 1032595-77-9
Product details
For laboratory research and professional procurement workflows.
PubChem CID
Not available
Exact Mass
532.2897
InChIKey
NVXGEVJUXQXWEU-UHFFFAOYSA-N
IUPAC Name
N'-[2-(tert-butylamino)-1-(2,3-dimethoxyphenyl)-2-oxoethyl]-N'-(3-ethoxypropyl)-N-(5-methyl-1,2-oxazol-3-yl)butanediamide
SMILES String
CCOCCCN(C(=O)CCC(=O)Nc1cc(C)on1)C(C(=O)NC(C)(C)C)c1cccc(OC)c1OC
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.
Quercetin 3-(6 inverted exclamation marka-caffeoylsophoroside) is identified by CAS 1032595-77-9, with molecular formula C27H40N4O7, molecular weight 532.6, InChIKey NVXGEVJUXQXWEU-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
38
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
14
Ring count
2
Aromatic rings
2
Topological polar surface area
132.23 Ų
Computed LogP
3.63
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
Quercetin 3-(6 inverted exclamation marka-caffeoylsophoroside) (CAS 1032595-77-9) is maintained as a cataloged research chemical with formula C27H40N4O7, molecular weight 532. 60 g/mol, PubChem CID 3216281.
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
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.