Research chemical
CAS Number: 113229-61-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
6604838
Exact Mass
223.06096
InChIKey
LPMRCCNDNGONCD-NTSWFWBYSA-N
IUPAC Name
(2R,4S)-4-(phosphonomethyl)piperidine-2-carboxylic acid
SMILES String
O=C(O)[C@H]1C[C@@H](CP(=O)(O)O)CCN1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
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.
Selfotel, (-)- is identified by CAS 113229-61-1, with molecular formula C7H14NO5P, molecular weight 223.16, InChIKey LPMRCCNDNGONCD-NTSWFWBYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Cytochrome P450 2C19, Protein deacetylase HDAC6. These records do not establish therapeutic efficacy or clinical use.
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.
Heavy atom count
14
H-bond acceptors
6
H-bond donors
4
Rotatable bonds
3
Ring count
1
Aromatic rings
0
Topological polar surface area
106.86 Ų
Computed LogP
-0.38
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Selfotel, (-)- (CAS 113229-61-1) is maintained as a commercial cas reference with formula C7H14NO5P, molecular weight 223. 16 g/mol, PubChem CID 6604838.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Cytochrome P450 2C19 (Homo sapiens) — 2 assays; Protein deacetylase HDAC6 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Cytochrome P450 2C19
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1
Experimental evidence source: ChEMBL
Protein deacetylase HDAC6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.