Research chemical
CAS Number: 396094-85-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
Not available
Exact Mass
361.11364
InChIKey
DAFPBDIGMMUDMU-TUHVGIAZSA-N
SMILES String
O=[S@@](C1=CC=CC=C1C2=N[C@@H](C3=CC=CC=C3)CO2)C4=CC=C(C)C=C4
No physical property values available.
XLogP
(S)-4-Phenyl-2-(2-((R)-p-tolylsulfinyl)phenyl)-4,5-dihydrooxazole is identified by CAS 396094-85-2, with molecular formula C22H19NO2S, molecular weight 361.46, InChIKey DAFPBDIGMMUDMU-TUHVGIAZSA-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.
4.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
26
H-bond acceptors
3
H-bond donors
0
Rotatable bonds
4
Ring count
4
Aromatic rings
3
Topological polar surface area
38.66 Ų
Computed LogP
4.68
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
Research Catalog Compound - N-Heterocycle Ligand (CAS 396094-85-2) is listed for N-heterocycle ligand sourcing for coordination chemistry research.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: heteroaryl ligand or chelator screening with supplier documentation review, with buyer review before selection.
Documentation needs
Preliminary handling notes only; confirm supplier SDS before handling. Review storage, transport, and documentation requirements internally before order acceptance.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestNon-public references are shown as text only and do not imply equivalence, availability, or shared use.