Research chemical
CAS Number: 109376-83-2
Product details
For laboratory research and professional procurement workflows.
PubChem CID
4216
Exact Mass
416.00555
InChIKey
GEHJIACZUFWBTK-UHFFFAOYSA-N
IUPAC Name
1-(5-iodonaphthalen-1-yl)sulfonyl-1,4-diazepane
SMILES String
C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CC=C3I
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.
5-Iodonaphthalene-1-sulfonyl homopiperazine is identified by CAS 109376-83-2, with molecular formula C15H17IN2O2S, molecular weight 416.3, InChIKey GEHJIACZUFWBTK-UHFFFAOYSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Nuclear factor NF-kappa-B p105 subunit, Cytochrome P450 2D6, Cytochrome P450 3A4, Cytochrome P450 2C19, Serine/threonine-protein kinase mTOR. 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
21
H-bond acceptors
4
H-bond donors
1
Rotatable bonds
2
Ring count
3
Aromatic rings
2
Topological polar surface area
49.41 Ų
Computed LogP
2.43
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
5-Iodonaphthalene-1-sulfonyl homopiperazine (CAS 109376-83-2) is maintained as a cataloged research chemical with formula C15H17IN2O2S, molecular weight 416. 30 g/mol, PubChem CID 4216.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; 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 factor NF-kappa-B p105 subunit (Homo sapiens) — 2 assays; Cytochrome P450 2D6 (Homo sapiens) — 2 assays; Cytochrome P450 3A4 (Homo sapiens) — 3 assays; Cytochrome P450 2C19 (Homo sapiens) — 2 assays; Serine/threonine-protein kinase mTOR (Homo sapiens) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Nuclear factor NF-kappa-B p105 subunit
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.65
Experimental evidence source: ChEMBL
Cytochrome P450 2D6
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 1 documents · best pChEMBL 4.9
Experimental evidence source: ChEMBL
Cytochrome P450 2C19
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.9
Experimental evidence source: ChEMBL
Serine/threonine-protein kinase mTOR
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.73
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.