Research chemical
CAS Number: 1333312-97-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
164886365
Exact Mass
497.125728
InChIKey
PMNPVZYDZLZFTD-VLTGDTDDSA-N
IUPAC Name
(2S)-2-amino-6-[1-(6-nitro-1,3-benzodioxol-5-yl)ethoxycarbonylamino]hexanoic acid;2,2,2-trifluoroacetic acid
SMILES String
CC(OC(=O)NCCCC[C@H](N)C(=O)O)c1cc2c(cc1[N+](=O)[O-])OCO2.O=C(O)C(F)(F)F
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.
Methyl-O-nitropiperonyllysine (mnpk) trifluoroacetic acid is identified by CAS 1333312-97-2, with molecular formula C18H22F3N3O10, molecular weight 497.4, InChIKey PMNPVZYDZLZFTD-VLTGDTDDSA-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
13
H-bond donors
5
Rotatable bonds
9
Ring count
2
Aromatic rings
1
Topological polar surface area
200.55 Ų
Computed LogP
2.33
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
Methyl-O-nitropiperonyllysine (mnpk) trifluoroacetic acid (CAS 1333312-97-2) is maintained as a commercial cas reference with formula C18H22F3N3O10, molecular weight 497. 40 g/mol, PubChem CID 164886365.
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.
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.