Research chemical
CAS Number: 688062-35-3
![N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)carbamoyl]propyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide molecular structure, CAS 688062-35-3](/structure-images/688062-35-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
46370109
Exact Mass
676.256685
InChIKey
JVBDRBIXQWASBT-UHFFFAOYSA-N
IUPAC Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[[6-[1-(3-methoxypropylamino)-1-oxobutan-2-yl]sulfanyl-8-oxo-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl]benzamide
SMILES String
CCC(Sc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1)OCO3)C(=O)NCCCOC
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-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)carbamoyl]propyl}sulfanyl)-8-oxo-2H,7H,8H-[1,3]dioxolo[4,5-g]quinazolin-7-yl]methyl}benzamide is identified by CAS 688062-35-3, with molecular formula C35H40N4O8S, molecular weight 676.8, InChIKey JVBDRBIXQWASBT-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
12
H-bond donors
2
Rotatable bonds
16
Ring count
5
Aromatic rings
4
Topological polar surface area
139.24 Ų
Computed LogP
4.19
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
80 g/mol, PubChem CID 46370109.
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.
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