WAY-656283 - ≥98% , CAS No.263270-62-8

CAS: 263270-62-8 Cat. No.: W418268 분자식: C₁₂H₁₁NO₃S 분자량: 249.28564 PubChem CID: 4962840

GRADE & PURITY ≥98%

Synonyms

XLAHFZQELKMMMP-UHFFFAOYSA-N | 4-((2-Methylthiazol-4-yl)methoxy)benzoicacid | 4-((2-Methylthiazol-4-yl)methoxy)benzoic acid | EN300-14122 | MFCD07329907 | DTXSID40407175 | AKOS005207734 | AB00777367-01 | WAY-656283 | Z96091871 | 4-(2-Methylthiazol-4-ylmeth

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

개요

p38 kinase inhibitor

Specifications

동의어

XLAHFZQELKMMMP-UHFFFAOYSA-N | 4-((2-Methylthiazol-4-yl)methoxy)benzoicacid | 4-((2-Methylthiazol-4-yl)methoxy)benzoic acid | EN300-14122 | MFCD07329907 | DTXSID40407175 | AKOS005207734 | AB00777367-01 | WAY-656283 | Z96091871 | 4-(2-Methylthiazol-4-ylmeth

사양 및 순도

≥98%

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

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순수함

≥98%

제품 특성

ALogP

1.958

회전 가능한 결합

4

이름과 식별자

Pubchem Sid

488195037

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488195037

정식 스마일

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)O

IUPAC Name

4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoic acid

InChIKey

XLAHFZQELKMMMP-UHFFFAOYSA-N

INCHI

1S/C12H11NO3S/c1-8-13-10(7-17-8)6-16-11-4-2-9(3-5-11)12(14)15/h2-5,7H,6H2,1H3,(H,14,15)

이성체 SMILES

CC1=NC(=CS1)COC2=CC=C(C=C2)C(=O)O

PubChem CID

4962840

분자량

249.28564

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • 분류 Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 분류: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acids
• Alternative Parents: Phenoxy compounds Phenol ethers Benzoyl derivatives Alkyl aryl ethers 2,4-disubstituted thiazoles Heteroaromatic compounds Carboxylic acids Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoic acid - Phenoxy compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Azole - Heteroaromatic compound - Thiazole - Ether - Carboxylic acid - Carboxylic acid derivative - Organoheterocyclic compound - Azacycle - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Aromatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as benzoic acids. These are organic Compounds containing a benzene ring which bears at least one carboxyl 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

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 249.290 g/mol
• XLogP3: 2.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 249.046 Da
• Monoisotopic Mass: 249.046 Da
• Topological Polar Surface Area: 87.700 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 266.000
• 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