Research chemical
CAS Number: 587848-72-4
Product details
For laboratory research and professional procurement workflows.
PubChem CID
101377226
Exact Mass
543.032132
InChIKey
PCAJRNFTCPOUJA-HBNTYKKESA-N
IUPAC Name
[[(2R,3S,5R)-5-[4-amino-5-(3-aminoprop-1-ynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate
SMILES String
NCC#Cc1cn([C@H]2C[C@H](O)[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c2ncnc(N)c12
No physical property values available.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
7-Deaza-7-propargylamino-dATP is identified by CAS 587848-72-4, with molecular formula C14H20N5O12P3, molecular weight 543.26, InChIKey PCAJRNFTCPOUJA-HBNTYKKESA-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
34
H-bond acceptors
17
H-bond donors
9
Rotatable bonds
8
Ring count
3
Aromatic rings
2
Topological polar surface area
272.03 Ų
Computed LogP
-0.68
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
7-Deaza-7-propargylamino-dATP (CAS 587848-72-4) is maintained as a commercial cas reference with formula C14H20N5O12P3, molecular weight 543. 26 g/mol, PubChem CID 101377226.
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.