Research chemical
CAS Number: 1017857-38-3
![[1-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate molecular structure, CAS 1017857-38-3](/structure-images/1017857-38-3.png?v=struct-v2)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
24764458
Exact Mass
716.301049
InChIKey
NLEWMFKEAMXROY-DHUJRADRSA-N
SMILES String
CS(=O)(=O)Nc1cc([C@@H](O)CNCCCCCCCCCN2CCC(OC(=O)Nc3ccccc3-c3ccc(O)c(Cl)c3)CC2)ccc1O
No physical property values available.
XLogP
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-[9-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]nonyl]piperidin-4-yl] N-[2-(3-chloro-4-hydroxyphenyl)phenyl]carbamate is identified by CAS 1017857-38-3, with molecular formula C36H49ClN4O7S, molecular weight 717.3, InChIKey NLEWMFKEAMXROY-DHUJRADRSA-N.
ChEMBL contains qualifying experimental assay evidence associated with Muscarinic acetylcholine receptor M3, Muscarinic acetylcholine receptor M3. 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.
6.1
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
49
H-bond acceptors
11
H-bond donors
6
Rotatable bonds
18
Ring count
4
Aromatic rings
3
Topological polar surface area
160.46 Ų
Computed LogP
6.86
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
30 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, synthetic chemistry workflows, 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: Muscarinic acetylcholine receptor M3 (Homo sapiens) — 2 assays; Muscarinic acetylcholine receptor M3 (Cavia porcellus) — 2 assays. These records describe research assays and do not establish therapeutic efficacy or clinical use.
Muscarinic acetylcholine receptor M3
Homo sapiens · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 9.14
Experimental evidence source: ChEMBL
Muscarinic acetylcholine receptor M3
Cavia porcellus · SINGLE PROTEIN · 2 qualifying assays · 1 documents · best pChEMBL 7.92
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.
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.