Research chemical
CAS Number: 101651-92-7
Product details
For laboratory research and professional procurement workflows.
PubChem CID
58661
Exact Mass
487.129232
InChIKey
AQQZAHFUJIPVSM-UHFFFAOYSA-N
IUPAC Name
4-(7-chloro-2,4-dioxobenzo[g]pteridin-10-yl)pentyl-diethylazanium;hydrogen sulfate
SMILES String
CC[NH+](CC)CCCC(C)N1C2=C(C=C(C=C2)Cl)N=C3C1=NC(=O)NC3=O.OS(=O)(=O)[O-]
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.
Isoalloxazine, 7-chloro-10-(4-(diethylamino)-1-methylbutyl)-, sulfate is identified by CAS 101651-92-7, with molecular formula C19H26ClN5O6S, molecular weight 488, InChIKey AQQZAHFUJIPVSM-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Insulin-degrading enzyme, Rap guanine nucleotide exchange factor 3, Rap guanine nucleotide exchange factor 4, Tyrosyl-DNA phosphodiesterase 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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Heavy atom count
32
H-bond acceptors
11
H-bond donors
3
Rotatable bonds
7
Ring count
3
Aromatic rings
1
Topological polar surface area
162.51 Ų
Computed LogP
0.51
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
Isoalloxazine, 7-chloro-10-(4-(diethylamino)-1-methylbutyl)-, sulfate (CAS 101651-92-7) is an English MolGraph catalog reference, molecular formula C19H26ClN5O6S and molecular weight 488. 00 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for heterocyclic building-block research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
ChEMBL reports experimental activity evidence for: Insulin-degrading enzyme (Homo sapiens) — 2 assays; Rap guanine nucleotide exchange factor 3 (Homo sapiens) — 2 assays; Rap guanine nucleotide exchange factor 4 (Homo sapiens) — 2 assays; Tyrosyl-DNA phosphodiesterase 1 (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Insulin-degrading enzyme
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Rap guanine nucleotide exchange factor 3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Rap guanine nucleotide exchange factor 4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents
Experimental evidence source: ChEMBL
Tyrosyl-DNA phosphodiesterase 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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.