Research chemical
CAS Number: 70356-09-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
51040
Exact Mass
310.15689
InChIKey
XNEFYCZVKIDDMS-UHFFFAOYSA-N
IUPAC Name
1-(4-tert-butylphenyl)-3-(4-methoxyphenyl)propane-1,3-dione
SMILES String
O=C(C1=CC=C(C(C)(C)C)C=C1)CC(C2=CC=C(OC)C=C2)=O
Melting Point
83.5 °C
Water Solubility
20 mol/L
Vapor Pressure
Estimated very low; unit not specified
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
23
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
5
Ring count
2
Aromatic rings
2
Topological polar surface area
43.37 Ų
Computed LogP
4.45
Structural features
1-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione, Avobenzone (CAS 70356-09-1) is a research-use catalog compound with formula C20H22O3, molecular weight 310. 39 g/mol, cataloged for catalysis and ligand research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this record to verify identity and review the listed 1 mg, 95%, USD 53. Submit an RFQ to confirm current stock, lead time, shipment fit, and final quotation.
Documentation needs
Recorded public safety signal word: Warning. Recorded hazard codes: H302, H315, H319, H335, H413. Request and review the current supplier SDS and COA before purchase, handling, or shipment.
ChEMBL reports experimental activity evidence for: DNA repair nuclease/redox regulator APEX1 (Homo sapiens) — 2 assays; ATP-dependent DNA helicase Q1 (Homo sapiens) — 3 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 4 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
DNA repair nuclease/redox regulator APEX1
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
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 RequestCatalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared 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.
1-(4-(tert-Butyl)phenyl)-3-(4-methoxyphenyl)propane-1,3-dione , Avobenzone 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
other structure rule
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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.
ATP-dependent DNA helicase Q1
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.9
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 1
Homo sapiens · SINGLE PROTEIN · 4 qualifying assays · 1 documents · best pChEMBL 4.7
Experimental evidence source: ChEMBL
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.