Research chemical
CAS Number: 859209-74-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16047979
Exact Mass
526.241718
InChIKey
ANSPEDQTHURSFQ-KBPBESRZSA-N
IUPAC Name
ethyl (2S)-2-[[2-[2-amino-6-(cyclopropylamino)purin-9-yl]ethoxymethyl-[[(2S)-1-ethoxy-1-oxopropan-2-yl]amino]phosphoryl]amino]propanoate
SMILES String
CCOC(=O)[C@H](C)NP(=O)(COCCn1cnc2c(NC3CC3)nc(N)nc21)N[C@@H](C)C(=O)OCC
No physical property values available.
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.
N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester is identified by CAS 859209-74-8, with molecular formula C21H35N8O6P, molecular weight 526.5, InChIKey ANSPEDQTHURSFQ-KBPBESRZSA-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.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
36
H-bond acceptors
14
H-bond donors
5
Rotatable bonds
15
Ring count
3
Aromatic rings
2
Topological polar surface area
184.61 Ų
Computed LogP
1.23
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
N,N'-(((2-(2-Amino-6-(cyclopropylamino)-9H-purin-9-yl)ethoxy)methyl)phosphinylidene)bis(L-alanine) 1,1'-ethyl ester (CAS 859209-74-8) is maintained as a commercial cas reference with formula C21H35N8O6P, molecular weight 526. 50 g/mol, PubChem CID 16047979.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, phosphine-ligand motif.
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.