Research chemical
CAS Number: 80952-47-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
71587298
Exact Mass
511.220736
InChIKey
XWNJZPKETIWTTF-RIHGSVRJSA-N
IUPAC Name
(3S)-N-[(1S)-2-[4-(3-aminopropylamino)butylamino]-1-hydroxy-2-oxoethyl]-7-(diaminomethylideneamino)-3-hydroxyheptanamide;trihydrochloride
SMILES String
Cl.Cl.Cl.N=C(N)NCCCC[C@H](O)CC(=O)N[C@@H](O)C(=O)NCCCCNCCCN
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.
Spergualin trihydrochloride is identified by CAS 80952-47-2, with molecular formula C17H40Cl3N7O4, molecular weight 512.9, InChIKey XWNJZPKETIWTTF-RIHGSVRJSA-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
31
H-bond acceptors
11
H-bond donors
11
Rotatable bonds
17
Ring count
0
Aromatic rings
0
Topological polar surface area
198.61 Ų
Computed LogP
-1.07
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
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
Spergualin trihydrochloride (CAS 80952-47-2) is maintained as a commercial cas reference with formula C17H40Cl3N7O4, molecular weight 512. 90 g/mol, PubChem CID 71587298.
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.
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.