Research chemical
CAS Number: 827319-50-6
Product details
For laboratory research and professional procurement workflows.
PubChem CID
137796504
Exact Mass
552.381475
InChIKey
MDEFUUIAPRQDDQ-UHFFFAOYSA-N
IUPAC Name
4-methyl-1,3,6-tris(3-methylbut-2-enyl)-5-(3-methyl-2-oxobutanoyl)-4-(4-methylpent-3-enyl)-7-oxabicyclo[4.2.1]nonane-8,9-dione
SMILES String
CC(C)=CCCC1(C)C(CC=C(C)C)CC2(CC=C(C)C)C(=O)OC(CC=C(C)C)(C2=O)C1C(=O)C(=O)C(C)C
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.
CID 137796504 is identified by CAS 827319-50-6, with molecular formula C35H52O5, molecular weight 552.8, InChIKey MDEFUUIAPRQDDQ-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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
40
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
12
Ring count
2
Aromatic rings
0
Topological polar surface area
77.51 Ų
Computed LogP
8.09
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
CID 137796504 (CAS 827319-50-6) is maintained as a commercial cas reference with formula C35H52O5, molecular weight 552. 80 g/mol, PubChem CID 137796504.
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.
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.