Tetraethyl 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetate - ≥96%(HPLC) , CAS No.97600-39-0

CAS: 97600-39-0 Cat. No.: T162636 Peso molecular: 993.29 Beilstein Registry Number: 3587000 Número EC: 619-280-6 PubChem CID: 2724889

GRADE & PURITY ≥96%(HPLC)

Synonyms

MFCD00145373 | Sodium ionophore X, Selectophore(TM), function tested | 4-tert-Butylcalix[4]arene-O,O',O'',O'''-tetraacetic Acid Tetraethyl Ester | 5,11,17,23-p-tert.Butyl-25,26,27,28-tetrakis-[(ethoxycarbonyl)methoxy]-calix[4]arene | ethyl 2-[[5,11,17,23-

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

MFCD00145373 | Sodium ionophore X, Selectophore(TM), function tested | 4-tert-Butylcalix[4]arene-O, O', O'', O'''-tetraacetic Acid Tetraethyl Ester | 5, 11, 17, 23-p-tert.Butyl-25, 26, 27, 28-tetrakis-[(ethoxycarbonyl)methoxy]-calix[4]arene | ethyl 2-[[5, 11, 17, 23-

Especificaciones y pureza

≥96%(HPLC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥96%(HPLC)

Nombres e identificadores

• Pubchem Sid: 488192315
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192315
• Sonrisas canónicas: CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C
• IUPAC Name: ethyl 2-[[5,11,17,23-tetratert-butyl-26,27,28-tris(2-ethoxy-2-oxoethoxy)-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaenyl]oxy]acetate
• InChIKey: HZHADWCIBZZJNV-UHFFFAOYSA-N
• INCHI: 1S/C60H80O12/c1-17-65-49(61)33-69-53-37-21-39-27-46(58(8,9)10)29-41(54(39)70-34-50(62)66-18-2)23-43-31-48(60(14,15)16)32-44(56(43)72-36-52(64)68-20-4)24-42-30-47(59(11,12)13)28-40(55(42)71-35-51(63)67-19-3)22-38(53)26-45(25-37)57(5,6)7/h25-32H,17-24,33-36H2,1-16H3
• Isómeros SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=C(C(=CC(=C4)C(C)(C)C)CC5=C(C(=CC(=C5)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C
• WGK Alemania: 3
• PubChem CID: 2724889
• Peso molecular: 993.29
• Beilstein: 3587000
• Reaxy-Rn: 3587002

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Tetracarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Tetracarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetracarboxylic acids and derivatives
• Alternative Parents: Phenoxyacetic acid derivatives Alkyl aryl ethers Carboxylic acid esters Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homopolycyclic compounds
• Substituents: Tetracarboxylic acid or derivatives - Phenoxyacetate - Alkyl aryl ether - Benzenoid - Carboxylic acid ester - Ether - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Aromatic homopolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
• 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

Propiedades químicas y físicas

• Punto de fusión (°C): 155 °C
• Peso molecular: 993.300 g/mol
• XLogP3: 15.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 24
• Exact Mass: 992.565 Da
• Monoisotopic Mass: 992.565 Da
• Topological Polar Surface Area: 142.000 Ų
• Heavy Atom Count: 72
• Formal Charge: 0
• Complexity: 1420.000
• 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. Hang Tian, Lichao Wang, Weifeng Yang, Kerui Li, Qinghong Zhang, Yaogang Li, Hongzhi Wang, Chengyi Hou.  (2023)  Hierarchical Fermat Helix-structured Electrochemical Sensing Fibers Enable Sweat Capture and Multi-biomarker Monitoring.  Materials Horizons,      [PMID:37725333] [10.1039/D3MH00989K]

2. Junxing Hao, Zeqiang Zhu, Chengguo Hu, Zhihong Liu.  (2022)  Photosensitive-Stamp-Inspired Scalable Fabrication Strategy of Wearable Sensing Arrays for Noninvasive Real-Time Sweat Analysis.  ANALYTICAL CHEMISTRY,      [PMID:35238536] [10.1021/acs.analchem.2c00593]

3. Liu Guodong, Gong Zeyu, Dou Xiaolong, Li Chaojiang, Tan Qifeng, Liu Yuxuan, Zhang Xianchao, Qiu Yanzheng.  (2024)  An Integrated Electrochemical Sensor with Flexible Microfluidic Structures for Human Sweat Analysis.  BioChip Journal,      [PMID:] [10.1007/s13206-024-00181-z]

4. Chaojiang Li, Yuxuan Liu, Guodong Liu, Qifeng Tan, Xiaolong Dou, Yuting Xie, Xianchao Zhang.  (2025)  Development of a low-cost flexible potentiometric detector and its integrated system for electrochemical sensing of electrolytes in human sweat.  Sensors and Actuators Reports,      [PMID:] [10.1016/j.snr.2025.100286]

5. Lidan Yan, Yang Zhang, Zhibiao Zhu, Yuqi Liang, Mengmeng Xiao.  (2025)  Robust Carbon Nanotube Transistor Ion Sensors with Near-Nernstian Sensitivity for Multi-Ion Detection in Neurological Diseases.  Nanomaterials,  15  (6): (447).  [PMID:40137620] [10.3390/nano15060447]

6. Dan Luo, Lu Liu, Yuefeng Liu, Jun Li, Zhijie Li, Haibo Sun, Pengfei Peng, Yue Qiu, Yong Liu, Hao Liu.  (2025)  Rubbing resistant and rapid response multifunctional sweat sensor based on core-sheath structure yarns.  CHEMICAL ENGINEERING JOURNAL,      [PMID:] [10.1016/j.cej.2025.165987]

7. Guodong Liu, Xianyang Guan, Pingna Zhang, Qifeng Tan, Tianlong Li, Xin Jin, Huiqing Xu, Chaojiang Li, Jieliang Zhao.  (2025)  A Fully Integrated Wearable Microfluidic Electrochemical Sensor with Ultrasonic Connecting and Hot-Pressing Bonded Multilayer Structure for Sweat Biomarker Analysis.  ANALYTICAL CHEMISTRY,      [PMID:41055006] [10.1021/acs.analchem.5c04641]