Research chemical
CAS Number: 113267-33-7
![2-[(Benzyloxy)carbonyl]-1,4-phenylene bis[4-(octyloxy)benzoate] molecular structure, CAS 113267-33-7](/structure-images/113267-33-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71337094
Exact Mass
708.366219
InChIKey
PCVAMGATFGPTMO-UHFFFAOYSA-N
IUPAC Name
benzyl 2,5-bis[(4-octoxybenzoyl)oxy]benzoate
SMILES String
CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCCCCCC)cc3)c(C(=O)OCc3ccccc3)c2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-[(Benzyloxy)carbonyl]-1,4-phenylene bis[4-(octyloxy)benzoate] is identified by CAS 113267-33-7, with molecular formula C44H52O8, molecular weight 708.9, InChIKey PCVAMGATFGPTMO-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Heavy atom count
52
H-bond acceptors
8
H-bond donors
0
Rotatable bonds
23
Ring count
4
Aromatic rings
4
Topological polar surface area
97.36 Ų
Computed LogP
10.96
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
2-[(Benzyloxy)carbonyl]-1,4-phenylene bis[4-(octyloxy)benzoate] (CAS 113267-33-7) is maintained as a commercial cas reference with formula C44H52O8, molecular weight 708. 90 g/mol, PubChem CID 71337094.
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.