Research chemical
CAS Number: 2613382-46-8
![2-[2-(4-{2-[2-(4-{2-Thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethyl}piperazin-1-yl)ethoxy]ethan-1-ol tetrahydrochloride molecular structure, CAS 2613382-46-8](/structure-images/2613382-46-8.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
155943924
Exact Mass
685.196772
InChIKey
KMHNJIHDOZUCKL-UHFFFAOYSA-N
IUPAC Name
2-[2-[4-[2-[2-(4-benzo[b][1,4]benzothiazepin-6-ylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethoxy]ethanol;tetrahydrochloride
SMILES String
Cl.Cl.Cl.Cl.OCCOCCN1CCN(CCOCCN2CCN(C3=Nc4ccccc4Sc4ccccc43)CC2)CC1
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-[2-(4-{2-[2-(4-{2-Thia-9-azatricyclo[9.4.0.0,3,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-10-yl}piperazin-1-yl)ethoxy]ethyl}piperazin-1-yl)ethoxy]ethan-1-ol tetrahydrochloride is identified by CAS 2613382-46-8, with molecular formula C29H45Cl4N5O3S, molecular weight 685.6, InChIKey KMHNJIHDOZUCKL-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
42
H-bond acceptors
8
H-bond donors
1
Rotatable bonds
11
Ring count
5
Aromatic rings
2
Topological polar surface area
64.01 Ų
Computed LogP
4.18
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-[2-(4-{2-[2-(4-{2-Thia-9-azatricyclo[9. 4. 0.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.