(R,R)-2-Iodo-1,3-bis[1-(mesitylcarbamoyl)ethoxy]benzene - ≥98% , CAS No.1226896-38-3

CAS: 1226896-38-3 Cat. No.: I121121 Molecular Weight: 614.52 PubChem CID: 46192097

GRADE & PURITY ≥98%

Synonyms

(2R,2'R)-2,2'-[(2-Iodo-1,3-phenylene)bis(oxy)]bis[N-(2,4,6-trimethylphenyl)propanamide] | MFCD29916932 | AS-74416 | I0807 | (R,R)-2-Iodo-1,3-bis[1-(2,4,6-trimethylphenylcarbamoyl)ethoxy]benzene | D91202 | CHEBI:180607 | (2R)-2-[2-iodo-3-[(2R)-1-oxo-1-(2,4

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyms

(2R, 2'R)-2, 2'-[(2-Iodo-1, 3-phenylene)bis(oxy)]bis[N-(2, 4, 6-trimethylphenyl)propanamide] | MFCD29916932 | AS-74416 | I0807 | (R, R)-2-Iodo-1, 3-bis[1-(2, 4, 6-trimethylphenylcarbamoyl)ethoxy]benzene | D91202 | CHEBI:180607 | (2R)-2-[2-iodo-3-[(2R)-1-oxo-1-(2, 4

Specifications & Purity

≥98%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC(=C(C(=C1)C)NC(=O)C(C)OC2=C(C(=CC=C2)OC(C)C(=O)NC3=C(C=C(C=C3C)C)C)I)C
• IUPAC Name: (2R)-2-[2-iodo-3-[(2R)-1-oxo-1-(2,4,6-trimethylanilino)propan-2-yl]oxyphenoxy]-N-(2,4,6-trimethylphenyl)propanamide
• InChIKey: ZVOKSLMZXDIXPR-DHIUTWEWSA-N
• INCHI: 1S/C30H35IN2O4/c1-16-12-18(3)27(19(4)13-16)32-29(34)22(7)36-24-10-9-11-25(26(24)31)37-23(8)30(35)33-28-20(5)14-17(2)15-21(28)6/h9-15,22-23H,1-8H3,(H,32,34)(H,33,35)/t22-,23-/m1/s1
• Isomeric SMILES: CC1=CC(=C(C(=C1)C)NC(=O)[C@@H](C)OC2=C(C(=CC=C2)O[C@H](C)C(=O)NC3=C(C=C(C=C3C)C)C)I)C
• PubChem CID: 46192097
• Molecular Weight: 614.52
• Reaxy-Rn: 20336581

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Anilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Not available
• Direct Parent: Anilides
• Alternative Parents: Phenoxy compounds Phenol ethers N-arylamides Iodobenzenes Alkyl aryl ethers Aryl iodides Secondary carboxylic acid amides Organopnictogen compounds Organoiodides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anilide - Phenoxy compound - N-arylamide - Phenol ether - Alkyl aryl ether - Halobenzene - Iodobenzene - Aryl halide - Aryl iodide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organohalogen compound - Organoiodide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as anilides. These are organic heterocyclic compounds derived from oxoacids RkE(=O)l(OH)m (l not 0) by replacing an OH group by the NHPh group or derivative formed by ring substitution.
• External Descriptors: Not available

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.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive,Heat Sensitive
• Molecular Weight: 614.500 g/mol
• XLogP3: 7.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 614.164 Da
• Monoisotopic Mass: 614.164 Da
• Topological Polar Surface Area: 76.700 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 682.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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