Research chemical
CAS Number: 842972-76-3
![11-(2,5-dimethylphenyl)-3-(3-ethoxypropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one molecular structure, CAS 842972-76-3](/structure-images/842972-76-3.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2005132
Exact Mass
427.200825
InChIKey
MPASGRFYBZETRA-UHFFFAOYSA-N
IUPAC Name
17-(2,5-dimethylphenyl)-13-(3-ethoxypropyl)-2,9,13,15,17-pentazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),14-heptaen-12-one
SMILES String
CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1C
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
11-(2,5-dimethylphenyl)-3-(3-ethoxypropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one is identified by CAS 842972-76-3, with molecular formula C25H25N5O2, molecular weight 427.5, InChIKey MPASGRFYBZETRA-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
32
H-bond acceptors
7
H-bond donors
0
Rotatable bonds
6
Ring count
5
Aromatic rings
5
Topological polar surface area
74.83 Ų
Computed LogP
4.33
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
11-(2,5-dimethylphenyl)-3-(3-ethoxypropyl)-3,11-dihydro-4H-pyrimido[5',4':4,5]pyrrolo[2,3-b]quinoxalin-4-one (CAS 842972-76-3) is maintained as a commercial cas reference with formula C25H25N5O2, molecular weight 427. 50 g/mol, PubChem CID 2005132.
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, drug-like rule profile.
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.