Research chemical
CAS Number: 1044870-39-4
![2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one molecular structure, CAS 1044870-39-4](/structure-images/1044870-39-4.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24871506
Exact Mass
370.152872
InChIKey
NETXMUIMUZJUTB-UHFFFAOYSA-N
SMILES String
CC1=CC(=CC(=C1OCCO)C)C2=NC(=O)C3=C(N2)C=C(C=C3OC)OC
No physical property values available.
XLogP
2.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
27
H-bond acceptors
7
H-bond donors
2
Rotatable bonds
6
Ring count
3
Aromatic rings
3
Topological polar surface area
93.67 Ų
Computed LogP
2.6
Structural features
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one (CAS 1044870-39-4) is listed in the Pharmaceutical Intermediates portfolio, with molecular formula C20H22N2O5 and molecular weight 370. 40 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research-stage medicinal chemistry and intermediate synthesis workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H332, H335; For research use only.
ChEMBL reports experimental activity evidence for: Bromodomain-containing protein 4 (Homo sapiens) — 77 assays; Bromodomain-containing protein 3 (Homo sapiens) — 19 assays; Bromodomain-containing protein 2 (Homo sapiens) — 16 assays; Bromodomain testis-specific protein (Homo sapiens) — 8 assays; Protein deacetylase HDAC6 (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-1H-quinazolin-4-one is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
Bromodomain-containing protein 4
Homo sapiens · SINGLE PROTEIN · 77 qualifying assays · 33 documents · best pChEMBL 7.4
Experimental evidence source: ChEMBL
Bromodomain-containing protein 3
Homo sapiens · SINGLE PROTEIN · 19 qualifying assays · 11 documents · best pChEMBL 6.72
Experimental evidence source: ChEMBL
Bromodomain-containing protein 2
Homo sapiens · SINGLE PROTEIN · 16 qualifying assays · 7 documents · best pChEMBL 6.69
Experimental evidence source: ChEMBL
Bromodomain testis-specific protein
Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 4 documents · best pChEMBL 6.16
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 5.77
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H332, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P280, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.