Research chemical
CAS Number: 112764-13-3
Product details
For laboratory research and professional procurement workflows.
PubChem CID
188677
Exact Mass
386.13972
InChIKey
QNAMZWPGOWIUKH-UHFFFAOYSA-N
IUPAC Name
3-(diethylamino)-N-(9,10-dioxoanthracen-1-yl)propanamide;hydrochloride
SMILES String
CC[NH+](CC)CCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.[Cl-]
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Propanamide, 3-(diethylamino)-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-, monohydrochloride is identified by CAS 112764-13-3, with molecular formula C21H23ClN2O3, molecular weight 386.9, InChIKey QNAMZWPGOWIUKH-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Nuclear receptor ROR-gamma, Microtubule-associated protein tau, Lysosomal alpha-glucosidase, DNA polymerase iota, Flap endonuclease 1. 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.
Heavy atom count
27
H-bond acceptors
5
H-bond donors
2
Rotatable bonds
6
Ring count
3
Aromatic rings
2
Topological polar surface area
67.68 Ų
Computed LogP
-1.28
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
Yes
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
Propanamide, 3-(diethylamino)-N-(9,10-dihydro-9,10-dioxo-1-anthracenyl)-, monohydrochloride (CAS 112764-13-3) is maintained as a commercial cas reference with formula C21H23ClN2O3, molecular weight 386. 90 g/mol, PubChem CID 188677.
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, drug-like rule profile.
Documentation needs
Review supplier documentation before handling; for research use only.
ChEMBL reports experimental activity evidence for: Nuclear receptor ROR-gamma (Mus musculus) — 2 assays; Microtubule-associated protein tau (Homo sapiens) — 2 assays; Lysosomal alpha-glucosidase (Homo sapiens) — 2 assays; DNA polymerase iota (Homo sapiens) — 2 assays; Flap endonuclease 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear receptor ROR-gamma
Mus musculus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.8
Experimental evidence source: ChEMBL
Microtubule-associated protein tau
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.65
Experimental evidence source: ChEMBL
Lysosomal alpha-glucosidase
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.5
Experimental evidence source: ChEMBL
DNA polymerase iota
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Flap endonuclease 1
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.