Research chemical
CAS Number: 138517-61-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
2734568
Exact Mass
690.2565
InChIKey
AXMSEDAJMGFTLR-XRSDMRJBSA-N
IUPAC Name
2-diphenylphosphanyl-N-[(1R,2R)-2-[(2-diphenylphosphanylbenzoyl)amino]cyclohexyl]benzamide
SMILES String
O=C(NC1C(NC(C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)=O)CCCC1)C5=CC=CC=C5P(C6=CC=CC=C6)C7=CC=CC=C7
(1R,2R)-N,N'-(Cyclohexane-1,2-diyl)bis(2-(diphenylphosphino)benzamide) , (R,R)-DACH-Phenyl Trost Ligand is identified by CAS 138517-61-0, with molecular formula C44H40N2O2P2, molecular weight 690.75, InChIKey AXMSEDAJMGFTLR-XRSDMRJBSA-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.
Appearance
White to off-white powder or crystals
Physical State
powder or crystals or crystal
XLogP
8.9
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
50
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
10
Ring count
7
Aromatic rings
6
Topological polar surface area
58.2 Ų
Computed LogP
6.67
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
phosphine ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
Yes
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 with Phosphine Ligand (CAS 138517-61-0) is listed for phosphine ligand sourcing for catalyst or coordination screening.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Typical research procurement context: ligand-focused research workflows where steric and electronic fit are reviewed by the buyer, 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 RequestCertificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.