Research chemical
CAS Number: 846025-04-5
![N-homoveratryl-2-imino-5-keto-1-(3-morpholinopropyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide molecular structure, CAS 846025-04-5](/structure-images/846025-04-5.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5095459
Exact Mass
546.259068
InChIKey
TXPARDHZEOAETJ-UHFFFAOYSA-N
IUPAC Name
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-imino-7-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
SMILES String
COc1ccc(CCNC(=O)c2cc3c(=O)n4ccccc4nc3n(CCCN3CCOCC3)c2=N)cc1OC
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.
N-homoveratryl-2-imino-5-keto-1-(3-morpholinopropyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide is identified by CAS 846025-04-5, with molecular formula C29H34N6O5, molecular weight 546.6, InChIKey TXPARDHZEOAETJ-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
40
H-bond acceptors
11
H-bond donors
2
Rotatable bonds
10
Ring count
5
Aromatic rings
4
Topological polar surface area
123.18 Ų
Computed LogP
1.84
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-homoveratryl-2-imino-5-keto-1-(3-morpholinopropyl)dipyrido[1,2-d:3'',4''-f]pyrimidine-3-carboxamide (CAS 846025-04-5) is maintained as a commercial cas reference with formula C29H34N6O5, molecular weight 546. 60 g/mol, PubChem CID 5095459.
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.