Research chemical
CAS Number: 688060-77-7
![N-(benzo[d][1,3]dioxol-5-yl)-2-((7-(4-((3,4-dimethoxyphenethyl)amino)-4-oxobutyl)-8-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio)butanamide molecular structure, CAS 688060-77-7](/structure-images/688060-77-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46369972
Exact Mass
676.2203
InChIKey
IXXZPYXQHWYOFT-UHFFFAOYSA-N
IUPAC Name
N-(1,3-benzodioxol-5-yl)-2-[[7-[4-[2-(3,4-dimethoxyphenyl)ethylamino]-4-oxobutyl]-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-6-yl]sulfanyl]butanamide
SMILES String
CCC(Sc1nc2cc3c(cc2c(=O)n1CCCC(=O)NCCc1ccc(OC)c(OC)c1)OCO3)C(=O)Nc1ccc2c(c1)OCO2
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-(benzo[d][1,3]dioxol-5-yl)-2-((7-(4-((3,4-dimethoxyphenethyl)amino)-4-oxobutyl)-8-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio)butanamide is identified by CAS 688060-77-7, with molecular formula C34H36N4O9S, molecular weight 676.7, InChIKey IXXZPYXQHWYOFT-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Ordering
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
48
H-bond acceptors
13
H-bond donors
2
Rotatable bonds
14
Ring count
6
Aromatic rings
4
Topological polar surface area
148.47 Ų
Computed LogP
4.52
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-(benzo[d][1,3]dioxol-5-yl)-2-((7-(4-((3,4-dimethoxyphenethyl)amino)-4-oxobutyl)-8-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]quinazolin-6-yl)thio)butanamide (CAS 688060-77-7) is maintained as a commercial cas reference with formula C34H36N4O9S, molecular weight 676.
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.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.