Research chemical
CAS Number: 13501-07-0
Product details
For laboratory research and professional procurement workflows.
PubChem CID
26071
Exact Mass
594.221345
InChIKey
ZKEYBUNLJBHEON-UHFFFAOYSA-N
IUPAC Name
1-(2-benzoylpyrrol-1-yl)-4-morpholin-4-ium-4-yl-1-phenylbutan-2-one;2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate
SMILES String
C1COCC[NH+]1CCC(=O)C(C2=CC=CC=C2)N3C=CC=C3C(=O)C4=CC=CC=C4.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
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.
2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate is identified by CAS 13501-07-0, with molecular formula C31H34N2O10, molecular weight 594.6, InChIKey ZKEYBUNLJBHEON-UHFFFAOYSA-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
43
H-bond acceptors
12
H-bond donors
4
Rotatable bonds
13
Ring count
4
Aromatic rings
3
Topological polar surface area
187.7 Ų
Computed LogP
-0.4
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
2-Butanone, 1-(2-benzoyl-1-pyrrolyl)-4-morpholino-1-phenyl-, citrate (CAS 13501-07-0) is maintained as a commercial cas reference with formula C31H34N2O10, molecular weight 594. 60 g/mol, PubChem CID 26071.
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.