Research chemical
CAS Number: 5584-40-7
![1-(4-Cyclohexylpiperazin-1-yl)-3-[4-[4-[3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol molecular structure, CAS 5584-40-7](/structure-images/5584-40-7.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
5253141
Exact Mass
698.407707
InChIKey
RXKPPCNIRMLABW-UHFFFAOYSA-N
SMILES String
O=S(=O)(c1ccc(OCC(O)CN2CCN(C3CCCCC3)CC2)cc1)c1ccc(OCC(O)CN2CCN(C3CCCCC3)CC2)cc1
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.
1-(4-Cyclohexylpiperazin-1-yl)-3-[4-[4-[3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol is identified by CAS 5584-40-7, with molecular formula C38H58N4O6S, molecular weight 699, InChIKey RXKPPCNIRMLABW-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
49
H-bond acceptors
10
H-bond donors
2
Rotatable bonds
14
Ring count
6
Aromatic rings
2
Topological polar surface area
106.02 Ų
Computed LogP
3.9
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
1-(4-Cyclohexylpiperazin-1-yl)-3-[4-[4-[3-(4-cyclohexylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]sulfonylphenoxy]propan-2-ol (CAS 5584-40-7) is maintained as a commercial cas reference with formula C38H58N4O6S, molecular weight 699.
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.