EINECS 250-321-7 structure

EINECS 250-321-7

N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide

Also Known As: HEXACHLOROBENZENE|N-(5-((4-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-2-(4-((4-(phenylmethoxy)phenyl)sulphonyl)phenoxy)valeramide|744B855|I01-1663|N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide|Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]-|Pentanamide, N-(5-((4-(2,4-bis(1,1-dimethylpropyl)phenoxy)-1-oxobutyl)amino)-2-chlorophenyl)-4,4-dimethyl-3-oxo-2-(4-((4-(phenylmethoxy)phenyl)sulfonyl)phenoxy)-|N-(5-((4-(2,4-Bis -4,4-dimethyl-3-oxo-2-(4-((4- valeramide|N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulphonyl]phenoxy]valeramide|a-pivaloyl-|a-[4-(p-benzyloxyphenylsulfone)phenoxy]-2-chloro-5-[|?-(2,4-di-tert-amylphenoxy)butyramidoacetanilide|2-(4-{[4-(benzyloxy)phenyl]sulfonyl}phenoxy)-N-(2-chloro-5-{[4-(2,4-ditert-pentylphenoxy)butanoyl]amino}phenyl)-4,4-dimethyl-3-oxopentanamide|2-[4-(4-Benzyloxy-diphenyl-sulfonyl-phenoxy)]-4,4-dimethyl-3- oxo-pentanoic acid-[2-chlor-5-[4-(2,4-di-tert-pentylphenoxy)-butyramido]]-anilide|2-[4-(4-Benzyloxy-diphenyl-sulfonyl-phenoxy)]-4,4-dimethyl-3-oxo-pentanoic acid-[2-chlor-5-[4-(2,4-di-tert-pentylphenoxy)-butyramido]]-anilide|2-{4-[4-(Benzyloxy)benzene-1-sulfonyl]phenoxy}-N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide|2-{4-[4-(benzyloxy)benzenesulfonyl]phenoxy}-N-(5-{4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanamido}-2-chlorophenyl)-4,4-dimethyl-3-oxopentanamide|chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenox;N-[5-[[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-Pentanamide;2-[4-(4-BENZYLOXY-DIPHENYL-SULFONYL-PHENOXY)]-4,4-DIMETHYL-3- O|N-[5-[[4-[2,4-Bis(1,1-dimethylpropyl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)phenyl]sulfonyl]phenoxy]pentanamide|N-[5-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide|N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloranyl-phenyl]-4,4-dimethyl-3-oxidanylidene-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide|N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-[4-(phenylmethoxy)phenyl]sulfonylphenoxy]pentanamide|Pentanamide, N-[5-[[4-[2,4-bis(1,1-dimethylpropyl) phenoxy]-1-oxobutyl]amino]-2-chlorophenyl ]-4,4-dimethyl-3-oxo-2-[4-[[4-(phenylmethoxy)pheny l]sulfonyl]phenoxy]-

CAS: 30744-85-5
Molecular Formula C52H61ClN2O8S
Molecular Weight 908.3837 g/mol
LogP 13.2
Topological Polar Surface Area 145.0 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 8
Rotatable Bonds 21
Exact Mass 908.3837
Monoisotopic Mass 908.3837
Heavy Atoms 64
Complexity 1590.0

Chemical Identifiers

CAS Number 30744-85-5
SMILES CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)NC2=CC(=C(C=C2)Cl)NC(=O)C(C(=O)C(C)(C)C)OC3=CC=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)OCC5=CC=CC=C5)C(C)(C)CC
InChIKey AHFGXYNQFIKDFT-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.

Photographic Chemicals (7 patents) Plastic Additives (3 patents)

Product Overview

EINECS 250-321-7 (CAS 30744-85-5), with molecular formula C52H61ClN2O8S and molecular weight 908.3837 g/mol. IUPAC: N-[5-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chlorophenyl]-4,4-dimethyl-3-oxo-2-[4-(4-phenylmethoxyphenyl)sulfonylphenoxy]pentanamide.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →

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