Research chemical
CAS Number: 76260-42-9
![[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester molecular structure, CAS 76260-42-9](/structure-images/76260-42-9.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
112159
Exact Mass
414.25588
InChIKey
RHUXKIANICSJAI-UHFFFAOYSA-N
IUPAC Name
[4-(2-methylbutyl)phenyl] 4-[4-(2-methylbutyl)phenyl]benzoate
SMILES String
CCC(C)CC1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=C(C=C3)CC(C)CC
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.
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester is identified by CAS 76260-42-9, with molecular formula C29H34O2, molecular weight 414.6, InChIKey RHUXKIANICSJAI-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.
Heavy atom count
31
H-bond acceptors
2
H-bond donors
0
Rotatable bonds
9
Ring count
3
Aromatic rings
3
Topological polar surface area
26.3 Ų
Computed LogP
7.75
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
[1,1'-Biphenyl]-4-carboxylic acid, 4'-(2-methylbutyl)-, 4-(2-methylbutyl)phenyl ester (CAS 76260-42-9) is maintained as a commercial cas reference with formula C29H34O2, molecular weight 414. 60 g/mol, PubChem CID 112159.
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.