Research chemical
CAS Number: 112901-67-4
![(S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4'-octyloxy-4-biphenylcarboxylate molecular structure, CAS 112901-67-4](/structure-images/112901-67-4.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
14273395
Exact Mass
558.334525
InChIKey
AYYWUKWHSHVSLJ-NDEPHWFRSA-N
IUPAC Name
[4-[(2S)-octan-2-yl]oxycarbonylphenyl] 4-(4-octoxyphenyl)benzoate
SMILES String
CCCCCCCCOc1ccc(-c2ccc(C(=O)Oc3ccc(C(=O)O[C@@H](C)CCCCCC)cc3)cc2)cc1
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.
(S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4'-octyloxy-4-biphenylcarboxylate is identified by CAS 112901-67-4, with molecular formula C36H46O5, molecular weight 558.7, InChIKey AYYWUKWHSHVSLJ-NDEPHWFRSA-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.
Heavy atom count
41
H-bond acceptors
5
H-bond donors
0
Rotatable bonds
18
Ring count
3
Aromatic rings
3
Topological polar surface area
61.83 Ų
Computed LogP
9.83
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
(S)-4-[(1-Methylheptyloxy)carbonyl]phenyl 4'-octyloxy-4-biphenylcarboxylate (CAS 112901-67-4) is maintained as a cataloged research chemical with formula C36H46O5, molecular weight 558. 70 g/mol, PubChem CID 14273395.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation.
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.