Research chemical
CAS Number: 405917-31-9
![methyl 4-{[(2-hexyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}benzoate molecular structure, CAS 405917-31-9](/structure-images/405917-31-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
1637038
Exact Mass
444.193674
InChIKey
OXLJSQDYGFUQLV-UHFFFAOYSA-N
IUPAC Name
methyl 4-[(2-hexyl-6-oxobenzo[c]chromen-3-yl)oxymethyl]benzoate
SMILES String
CCCCCCc1cc2c(cc1OCc1ccc(C(=O)OC)cc1)oc(=O)c1ccccc12
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
methyl 4-{[(2-hexyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}benzoate is identified by CAS 405917-31-9, with molecular formula C28H28O5, molecular weight 444.5, InChIKey OXLJSQDYGFUQLV-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
33
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
9
Ring count
4
Aromatic rings
4
Topological polar surface area
65.74 Ų
Computed LogP
6.43
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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-{[(2-hexyl-6-oxo-6H-benzo[c]chromen-3-yl)oxy]methyl}benzoate (CAS 405917-31-9) is maintained as a commercial cas reference with formula C28H28O5, molecular weight 444. 50 g/mol, PubChem CID 1637038.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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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.