Research chemical
CAS Number: 159182-43-1
![4-[[(Hexylamino)carbonyl]amino]-N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-benzenesulfonamide molecular structure, CAS 159182-43-1](/structure-images/159182-43-1.png?v=struct-v3)
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Product details
For laboratory research and professional procurement workflows.
PubChem CID
9829836
Exact Mass
584.266856
InChIKey
NYYJKMXNVNFOFQ-MHZLTWQESA-N
IUPAC Name
1-hexyl-3-[4-[[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]sulfamoyl]phenyl]urea
SMILES String
CCCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(CCNC[C@H](O)COc3ccc(O)cc3)cc2)cc1
No physical property values available.
XLogP
4.3
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
41
H-bond acceptors
10
H-bond donors
6
Rotatable bonds
17
Ring count
3
Aromatic rings
3
Topological polar surface area
149.02 Ų
Computed LogP
4.47
Structural features
4-[[(Hexylamino)carbonyl]amino]-N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-benzenesulfonamide (CAS 159182-43-1) is listed in the Advanced Chemicals portfolio, with molecular formula C30H40N4O6S and molecular weight 584. 70 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Intended for research building-block and synthetic chemistry workflows; structure-derived tags include nitrogen-containing heterocycle.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; For research use only.
ChEMBL reports experimental activity evidence for: Beta-3 adrenergic receptor (Homo sapiens) — 8 assays; Beta-2 adrenergic receptor (Homo sapiens) — 5 assays; Beta-1 adrenergic receptor (Homo sapiens) — 3 assays; Cytochrome P450 3A4 (Homo sapiens) — 2 assays; Cruzipain (Trypanosoma cruzi) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Beta-3 adrenergic receptor
Procurement notes
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Use the quote panel for visible public options. Additional quantities or specifications can be reviewed by RFQ.
Purity, lot identity, and batch-specific documentation are confirmed before procurement decisions.
Supplier-issued COA and SDS can be requested before handling, storage, shipment, or procurement decisions.
Final quote depends on quantity, lead time, destination, and supplier confirmation.
4-[[(Hexylamino)carbonyl]amino]-N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-benzenesulfonamide is listed as in-stock / available for research-use sourcing review. Final availability, lot specification, and lead time are confirmed by RFQ.
The page shows a public reference price in the quote panel. Submit an RFQ to confirm current price, quantity breaks, lead time, and destination-specific shipping requirements.
Yes. Supplier-issued COA and SDS can be requested during the RFQ workflow. Lot-specific documents depend on supplier and batch confirmation.
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.
Homo sapiens · SINGLE PROTEIN · 8 qualifying assays · 5 documents · best pChEMBL 9.37
Experimental evidence source: ChEMBL
Beta-2 adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 5 qualifying assays · 4 documents · best pChEMBL 7.7
Experimental evidence source: ChEMBL
Beta-1 adrenergic receptor
Homo sapiens · SINGLE PROTEIN · 3 qualifying assays · 2 documents · best pChEMBL 6.7
Experimental evidence source: ChEMBL
Cytochrome P450 3A4
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 5.1
Experimental evidence source: ChEMBL
Cruzipain
Trypanosoma cruzi · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 4.92
Experimental evidence source: ChEMBL
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestSignal word: Warning
Supplier SDS reference cue; confirm supplier documentation before use.
Hazard statements: H302, H315, H319, H335
Supplier SDS hazard code reference; confirm full text in supplier documentation.
Precautionary statements: P261, P280, P301+P312, P302+P352, P305+P351+P338
Supplier SDS precautionary code reference; confirm full text in supplier documentation.
Shipment review: Required
Certificate of Analysis (COA): By request
Supplier Safety Data Sheet (SDS): By request
Purity and pack size confirmation: By request
Availability and lead time review: Confirmed by RFQ
Shipment documentation review: By request
For supplier-issued documentation by request, use the RFQ actions on this page.Review preliminary safety reference
Additional text reference cues are not available for this catalog entry.
Non-public references are shown as text only and do not imply equivalence, availability, or shared use.