Research chemical
CAS Number: 342779-72-0
![methyl 4-{[7-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}oxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl]oxy}benzoate molecular structure, CAS 342779-72-0](/structure-images/342779-72-0.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1635977
Exact Mass
596.093031
InChIKey
LYHPDNHGPAYKJO-UHFFFAOYSA-N
IUPAC Name
methyl 4-[7-[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]oxy-4-oxo-2-(trifluoromethyl)chromen-3-yl]oxybenzoate
SMILES String
COC(=O)c1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)COc4ccc5c(C)cc(=O)oc5c4)ccc3c2=O)cc1
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.
methyl 4-{[7-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}oxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl]oxy}benzoate is identified by CAS 342779-72-0, with molecular formula C30H19F3O10, molecular weight 596.5, InChIKey LYHPDNHGPAYKJO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
43
H-bond acceptors
10
H-bond donors
0
Rotatable bonds
7
Ring count
5
Aromatic rings
5
Topological polar surface area
131.48 Ų
Computed LogP
5.79
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.
Structural features
methyl 4-{[7-({[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetyl}oxy)-4-oxo-2-(trifluoromethyl)-4H-chromen-3-yl]oxy}benzoate (CAS 342779-72-0) is maintained as a commercial cas reference with formula C30H19F3O10, molecular weight 596. 50 g/mol, PubChem CID 1635977.
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 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.