5,10,15,20-Tetrakis(4-methoxyphenyl)porphyrin - ≥95% , CAS No.22112-78-3

CAS: 22112-78-3 Cat. No.: T123121 Peso molecular: 734.86 Beilstein Registry Number: 26(5)13,87 PubChem CID: 135404412

GRADE & PURITY ≥95%

Synonyms

4-Methoxy-1-[7,12,17-tris(4-methoxyphenyl)-21,22,23,24-tetraazapentacyclo[16.2.1.1<3,6>.1<8,11>.1<13,16>]tetracosa-1(21),2,4,6,8(23),9,11,13,15,17,19-undecaen-2-yl]benzene | AKOS005493092 | Leader Eye Itch Relief Drops | T1360 | YSWG692 | 5,10,15,20-Tetra

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

4-Methoxy-1-[7, 12, 17-tris(4-methoxyphenyl)-21, 22, 23, 24-tetraazapentacyclo[16.2.1.1<3, 6>.1<8, 11>.1<13, 16>]tetracosa-1(21), 2, 4, 6, 8(23), 9, 11, 13, 15, 17, 19-undecaen-2-yl]benzene | AKOS005493092 | Leader Eye Itch Relief Drops | T1360 | YSWG692 | 5, 10, 15, 20-Tetra

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504773268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773268
• Sonrisas canónicas: COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3
• IUPAC Name: 5,10,15,20-tetrakis(4-methoxyphenyl)-21,23-dihydroporphyrin
• InChIKey: PJOJZHHAECOAFH-UHFFFAOYSA-N
• INCHI: 1S/C48H38N4O4/c1-53-33-13-5-29(6-14-33)45-37-21-23-39(49-37)46(30-7-15-34(54-2)16-8-30)41-25-27-43(51-41)48(32-11-19-36(56-4)20-12-32)44-28-26-42(52-44)47(40-24-22-38(45)50-40)31-9-17-35(55-3)18-10-31/h5-28,49,52H,1-4H3
• Isómeros SMILES: COC1=CC=C(C=C1)C2=C3C=CC(=C(C4=NC(=C(C5=CC=C(N5)C(=C6C=CC2=N6)C7=CC=C(C=C7)OC)C8=CC=C(C=C8)OC)C=C4)C9=CC=C(C=C9)OC)N3
• WGK Alemania: 3
• PubChem CID: 135404412
• Peso molecular: 734.86
• Beilstein: 26(5)13,87
• Reaxy-Rn: 382642

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrapyrroles and derivatives
      • Subclass Porphyrins

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrapyrroles and derivatives
• Subclass: Porphyrins
• Intermediate Tree Nodes: Not available
• Direct Parent: Porphyrins
• Alternative Parents: Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Pyrroles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Porphyrin - Phenoxy compound - Methoxybenzene - Phenol ether - Anisole - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azacycle - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as porphyrins. These are compounds containing a fundamental skeleton of four pyrrole nuclei united through the alpha-positions by four methine groups to form a macrocyclic structure.
• 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

Mecanismos de acción

Propiedades químicas y físicas

• Sensibilidad: Heat sensitive
• Peso molecular: 734.800 g/mol
• XLogP3: 10.300
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 734.289 Da
• Monoisotopic Mass: 734.289 Da
• Topological Polar Surface Area: 94.300 Ų
• Heavy Atom Count: 56
• Formal Charge: 0
• Complexity: 1030.000
• 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

Referencias

1. Zou Bin, Liu Feng, Feng Ting, Yan Lishi, Suo Hongbo.  (2022)  A novel sensor based on metalloporphyrins-embedded covalent organic frameworks for rapid detection of antioxidants in plant oil.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2022.133227]

2. Ke Wang, Yuxia Liu, Shiting Wang, Zhifeng Dai, Yubing Xiong.  (2021)  Synergistic catalysis of metalloporphyrins and phosphonium ionic liquids for the efficient transformation of CO2 under ambient conditions.  Journal of CO2 Utilization,      [PMID:] [10.1016/j.jcou.2021.101519]

3. Chen Licong, Shi Rui, Han Yunfei, Wang Limei, Li Xingyun, Wang Zhongzhi.  (2026)  Eu(III) Complexes Coated WD-53 Modified Spherical SiO2 Core-shell Composite Material for Fluorescence Detection of 1-HP and Fe3+.  JOURNAL OF FLUORESCENCE,      [PMID:] [10.1007/s10895-026-04752-1]