Research chemical
CAS Number: 1013753-25-7
![6'-butyl-4'-hydroxy-10'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one molecular structure, CAS 1013753-25-7](/structure-images/1013753-25-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
17594405
Exact Mass
356.198759
InChIKey
CAFHUUPOVJAMRW-UHFFFAOYSA-N
IUPAC Name
6-butyl-4-hydroxy-10-methylspiro[3,4-dihydropyrano[3,2-g]chromene-2,1'-cyclohexane]-8-one
SMILES String
CCCCc1cc(=O)oc2c(C)c3c(cc12)C(O)CC1(CCCCC1)O3
No physical property values available.
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.
6'-butyl-4'-hydroxy-10'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one is identified by CAS 1013753-25-7, with molecular formula C22H28O4, molecular weight 356.5, InChIKey CAFHUUPOVJAMRW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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XLogP
4.6
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
3
Ring count
4
Aromatic rings
2
Topological polar surface area
59.67 Ų
Computed LogP
4.96
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
6'-butyl-4'-hydroxy-10'-methyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromen]-8'-one (CAS 1013753-25-7) is an English MolGraph catalog reference, molecular formula C22H28O4 and molecular weight 356. 50 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
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Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.