WAY-333449 - ≥97% , CAS No.721964-46-1

CAS: 721964-46-1 Cat. No.: W417455 분자식: C₂₀H₁₃FN₆OS₂ 분자량: 436.49 PubChem CID: 16815081

GRADE & PURITY ≥97%

Synonyms

N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide

Storage

Room temperature

개요

inhibitor of protein kinases

Specifications

동의어

N-(benzo[d]thiazol-2-yl)-2-((3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)thio)acetamide

사양 및 순도

≥97%

보관 조건

Room temperature

순수함

≥97%

제품 특성

• ALogP: 4.326
• HBD 수: 1
• 회전 가능한 결합: 5

이름과 식별자

• Pubchem Sid: 488199447
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488199447
• 정식 스마일: C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3
• IUPAC Name: N-(1,3-benzothiazol-2-yl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]acetamide
• InChIKey: PMLZUMPMDYBWIH-UHFFFAOYSA-N
• INCHI: 1S/C20H13FN6OS2/c21-13-7-5-12(6-8-13)19-25-24-16-9-10-18(26-27(16)19)29-11-17(28)23-20-22-14-3-1-2-4-15(14)30-20/h1-10H,11H2,(H,22,23,28)
• 이성체 SMILES: C1=CC=C2C(=C1)N=C(S2)NC(=O)CSC3=NN4C(=NN=C4C5=CC=C(C=C5)F)C=C3
• PubChem CID: 16815081
• 분자량: 436.49

화학 및 물리적 특성

• DMSO(mM) 최대 용해도: 10
• 분자량: 436.500 g/mol
• XLogP3: 4.000
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 5
• Exact Mass: 436.058 Da
• Monoisotopic Mass: 436.058 Da
• Topological Polar Surface Area: 139.000 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 610.000
• 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

자주 묻는 질문

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 721964-46-1, the molecular formula is C20H13FN6OS2, and the molecular weight is 436.49 g/mol. InChIKey PMLZUMPMDYBWIH-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.