Research chemical
CAS Number: 689757-96-8
![N-(3,4-dimethoxyphenethyl)-4-((6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide molecular structure, CAS 689757-96-8](/structure-images/689757-96-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46370120
Exact Mass
682.209735
InChIKey
SAHPLNNJGUARBW-UHFFFAOYSA-N
IUPAC Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[6-[2-(4-methoxyanilino)-2-oxoethyl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]benzamide
SMILES String
COc1ccc(NC(=O)CSc2nc3cc4c(cc3c(=O)n2Cc2ccc(C(=O)NCCc3ccc(OC)c(OC)c3)cc2)OCO4)cc1
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.
N-(3,4-dimethoxyphenethyl)-4-((6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide is identified by CAS 689757-96-8, with molecular formula C36H34N4O8S, molecular weight 682.7, InChIKey SAHPLNNJGUARBW-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
49
H-bond acceptors
12
H-bond donors
2
Rotatable bonds
13
Ring count
6
Aromatic rings
5
Topological polar surface area
139.24 Ų
Computed LogP
4.9
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
N-(3,4-dimethoxyphenethyl)-4-((6-((2-((4-methoxyphenyl)amino)-2-oxoethyl)thio)-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl)methyl)benzamide (CAS 689757-96-8) is maintained as a commercial cas reference with formula C36H34N4O8S, molecular weight 682.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.