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· · COA & SDS available for every product · Same-day shipping on in-stock items Home Applications Drug Discovery Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- , CAS No.161362-65-8 Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- , CAS No.161362-65-8
Synonyms
RS-39604 | RS 39604 | 0RP0I19CSC | UNII-0RP0I19CSC | CHEBI:64083 | Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3,5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- | GNF-Pf-5475 | NCGC00024922-01 | Tocris-0991 | Biomol-NT_000149
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Why this grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
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Storage & shipping Room temperature Ships Check lot-specific COA for exact specifications.
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Quality documents SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
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Literature proof Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications Synonyms
RS-39604 | RS 39604 | 0RP0I19CSC | UNII-0RP0I19CSC | CHEBI:64083 | Methanesulfonamide, N-(2-(4-(3-(4-amino-5-chloro-2-((3, 5-dimethoxyphenyl)methoxy)phenyl)-3-oxopropyl)-1-piperidinyl)ethyl)- | GNF-Pf-5475 | NCGC00024922-01 | Tocris-0991 | Biomol-NT_000149
Product Properties Names and Identifiers Canonical Smiles COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC IUPAC Name N-[2-[4-[3-[4-amino-5-chloro-2-[(3,5-dimethoxyphenyl)methoxy]phenyl]-3-oxopropyl]piperidin-1-yl]ethyl]methanesulfonamide InChIKey BKVIWGRFRKLFIO-UHFFFAOYSA-N INCHI 1S/C26H36ClN3O6S/c1-34-20-12-19(13-21(14-20)35-2)17-36-26-16-24(28)23(27)15-22(26)25(31)5-4-18-6-9-30(10-7-18)11-8-29-37(3,32)33/h12-16,18,29H,4-11,17,28H2,1-3H3 Isomeric SMILES COC1=CC(=CC(=C1)COC2=CC(=C(C=C2C(=O)CCC3CCN(CC3)CCNS(=O)(=O)C)Cl)N)OC Molecular Weight 554.1 Reaxy-Rn 8524141 Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8524141&ln=
Documentation 📋 Safety Data Sheet (SDS) Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS → ✅ Certificate of Analysis (COA) Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA → 📊 Datasheet Quick-reference summary of product specifications and applications.
View datasheet → 🔬 Specification Sheet Full quality attributes and acceptance criteria for this grade.
View spec sheet →
Advanced Data Taxonomic Classification Kingdom Organic compounds Superclass Organic oxygen compounds Class Organooxygen compounds Subclass Carbonyl compounds Intermediate Tree Nodes Ketones - Aryl ketones - Phenylketones Direct Parent Alkyl-phenylketones Alternative Parents Butyrophenones Dimethoxybenzenes Aminophenyl ethers Aniline and substituted anilines Anisoles Aryl alkyl ketones Benzoyl derivatives Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Piperidines Aryl chlorides Organic sulfonamides Organosulfonamides Aminosulfonyl compounds Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary amines Organochlorides Organopnictogen compounds Molecular Framework Aromatic heteromonocyclic compounds Substituents Alkyl-phenylketone - Butyrophenone - Dimethoxybenzene - M-dimethoxybenzene - Aminophenyl ether - Anisole - Phenol ether - Aryl alkyl ketone - Benzoyl - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Halobenzene - Chlorobenzene - Alkyl aryl ether - Aryl chloride - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid amide - Piperidine - Monocyclic benzene moiety - Aryl halide - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Ether - Organoheterocyclic compound - Azacycle - Organosulfur compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Primary amine - Aromatic heteromonocyclic compound Description This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group. External Descriptors piperidines - aromatic ether - sulfonamide - monochlorobenzenes - aromatic ketone Data sources 1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
3D Structure Associated Targets(Human) Associated Targets(non-human) Mechanisms of Action Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Molecular Weight 554.100 g/mol XLogP3 3.100 Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 9 Rotatable Bond Count 13 Exact Mass 553.201 Da Monoisotopic Mass 553.201 Da Topological Polar Surface Area 129.000 Ų Heavy Atom Count 37 Formal Charge 0 Complexity 793.000 Isotope Atom Count 0 Defined Atom Stereocenter Count 0 Undefined Atom Stereocenter Count 0 Defined Bond Stereocenter Count 0 Undefined Bond Stereocenter Count 0 The total count of all stereochemical bonds 0 Covalently-Bonded Unit Count 1
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