Salazodin , CAS No.22933-72-8

CAS: 22933-72-8 Cat. No.: S1068951 분자식: C₁₈H₁₅N₅O₆S 분자량: 429.41 PubChem CID: 65707

GRADE & PURITY Moligand™, ≥98%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

사양 및 순도

Moligand™, ≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

순수함

≥98%

이름과 식별자

정식 스마일

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O

IUPAC Name

2-hydroxy-5-[[4-[(6-methoxypyridazin-3-yl)sulfamoyl]phenyl]diazenyl]benzoic acid

InChIKey

YFUATOCFMCWUEH-UHFFFAOYSA-N

INCHI

1S/C18H15N5O6S/c1-29-17-9-8-16(21-22-17)23-30(27,28)13-5-2-11(3-6-13)19-20-12-4-7-15(24)14(10-12)18(25)26/h2-10,24H,1H3,(H,21,23)(H,25,26)

이성체 SMILES

COC1=NN=C(C=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3=CC(=C(C=C3)O)C(=O)O

PubChem CID

65707

분자량

429.41

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Azobenzenes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Azobenzenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azobenzenes
• Alternative Parents: Salicylic acids Benzenesulfonamides Benzoic acids Benzenesulfonyl compounds Benzoyl derivatives 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Pyridazines and derivatives Organosulfonamides Imidolactams Vinylogous acids Aminosulfonyl compounds Heteroaromatic compounds Azo compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxylic acids Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Azobenzene - Salicylic acid - Salicylic acid or derivatives - Benzenesulfonamide - Hydroxybenzoic acid - Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Organosulfonic acid amide - Imidolactam - Pyridazine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous acid - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Azo compound - Ether - Carboxylic acid - Carboxylic acid derivative - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene ring.
• 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

화학 및 물리적 특성

• 분자량: 429.400 g/mol
• XLogP3: -1.400
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 429.074 Da
• Monoisotopic Mass: 429.074 Da
• Topological Polar Surface Area: 172.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 706.000
• 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