Research chemical
CAS Number: 1384535-76-5
![(3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole] molecular structure, CAS 1384535-76-5](/structure-images/1384535-76-5.png?v=struct-v3)
Product details
PubChem CID
60203005
Exact Mass
692.3409
InChIKey
WRCZYHWWUWWAJL-CFLJHLTOSA-N
IUPAC Name
(3aS,7aS)-2-[(2R,4R)-4-[[(3aS,7aS)-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphol-2-yl]oxy]pentan-2-yl]oxy-1,3-diphenyl-3a,4,5,6,7,7a-hexahydrobenzo[d][1,3,2]diazaphosphole
SMILES String
O([P@]1N(C2C=CC=CC=2)[C@]([H])2CCCC[C@]2([H])N1C1C=CC=CC=1)[C@H](C)C[C@@H](C)O[P@@]1N(C2C=CC=CC=2)[C@]([H])2CCCC[C@]2([H])N1C1C=CC=CC=1
(3AS,3'aS,7aS,7'aS)-2,2'-[[(1R,3R)-1,3-Dimethyl-1,3-propanediyl]bis(oxy)]bis[octahydro-1,3-diphenyl-1H-1,3,2-benzodiazaphosphole] is identified by CAS 1384535-76-5, with molecular formula C41H50N4O2P2, molecular weight 692.81, InChIKey WRCZYHWWUWWAJL-CFLJHLTOSA-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.
For laboratory research and professional procurement workflows.
No physical property values available.
XLogP
11.2
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
49
H-bond acceptors
6
H-bond donors
0
Rotatable bonds
10
Ring count
8
Aromatic rings
4
Topological polar surface area
31.42 Ų
Computed LogP
11.32
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
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 1384535-76-5) 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 RequestSubmit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.