4'-Bromobenzo-18-crown 6-Ether - ≥95%(GC) , CAS No.75460-28-5

CAS: 75460-28-5 Cat. No.: B137027 분자식: C₁₆H₂₃BrO₆ 분자량: 391.26 EC 번호: 678-065-5

GRADE & PURITY ≥95%(GC)

Synonyms

YSZC2693 | 4'-BROMOBENZO-18-CROWN-6 | 4-Bromobenzo-18-crown-6 | HMS2518L24 | MFCD00143200 | T71303 | B2181 | SCHEMBL7740319 | DTXSID70370186 | 18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine | 18-Bromo-2,3,5,6,8,9,

Storage

Room temperature

Shipped In

Normal

Specifications

동의어

YSZC2693 | 4'-BROMOBENZO-18-CROWN-6 | 4-Bromobenzo-18-crown-6 | HMS2518L24 | MFCD00143200 | T71303 | B2181 | SCHEMBL7740319 | DTXSID70370186 | 18-Bromo-2,3,5,6,8,9,11,12,14,15-decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine | 18-Bromo-2,3,5,6,8,9,

사양 및 순도

≥95%(GC)

보관 조건

Room temperature

배송

Normal

순수함

≥95%(GC)

이름과 식별자

• Pubchem Sid: 488192520
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192520
• 정식 스마일: C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
• IUPAC Name: 20-bromo-2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(18),19,21-triene
• InChIKey: XHHZIFBFFGIFNI-UHFFFAOYSA-N
• INCHI: 1S/C16H23BrO6/c17-14-1-2-15-16(13-14)23-12-10-21-8-6-19-4-3-18-5-7-20-9-11-22-15/h1-2,13H,3-12H2
• 이성체 SMILES: C1COCCOCCOC2=C(C=CC(=C2)Br)OCCOCCO1
• 분자량: 391.26
• Reaxy-Rn: 4818529
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4818529&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 분류 Organooxygen compounds
      • Subclass Ethers

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 분류: Organooxygen compounds
• Subclass: Ethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkyl aryl ethers
• Alternative Parents: Benzenoids Aryl bromides Oxacyclic compounds Dialkyl ethers Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Alkyl aryl ether - Benzenoid - Aryl halide - Aryl bromide - Oxacycle - Organoheterocyclic compound - Dialkyl ether - Hydrocarbon derivative - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
• 설명: This compound belongs to the class of organic compounds known as alkyl aryl ethers. These are organic compounds containing the alkyl aryl ether functional group with the generic formula R-O-R' , where R is an alkyl group and R' is an aryl group.
• 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

관련 대상(인간)

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

관련 대상(비인간)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

작용 메커니즘

화학 및 물리적 특성

• 녹는점(°C): 80 °C
• 분자량: 391.250 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 390.068 Da
• Monoisotopic Mass: 390.068 Da
• Topological Polar Surface Area: 55.400 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 294.000
• 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

참고 문헌

1. Xiaojing Chen, Quan Tao, Siwei Yang, Hang Wang, Xuelian Wang, Guqiao Ding, Xiumin Gao, Hui Dong, Liangliang Rong.  (2025)  K+ concentration-based NMR-fluorescence dual-functional senescence sensing using graphene quantum dots with crown ether structure.  SENSORS AND ACTUATORS B-CHEMICAL,      [PMID:] [10.1016/j.snb.2025.137442]