Tubulozol

Base Information

• Chemical Name: Tubulozol
• CAS No.: 84697-22-3
• Molecular Formula: C23H23 Cl2 N3 O4 S
• Molecular Weight: 544.88
• UNII: 5K88I4GN0U
• DSSTox Substance ID: DTXSID501016582
• Nikkaji Number: J404.477K
• Wikidata: Q27157340
• NCI Thesaurus Code: C152778
• Mol file: 84697-22-3.mol

Synonyms:ethyl (4-(2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethylthio)phenyl)carbamate;R 46846;R-46,846;tubulazole;tubulozole

Chemical Property of Tubulozol

Chemical Property:

• Vapor Pressure: 1.3E-16mmHg at 25°C
• Boiling Point: 646.7°C at 760 mmHg
• Flash Point: 344.9°C
• PSA: 99.91000
• Density: 1.4g/cm³
• LogP: 6.69400
• XLogP3: 5.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 507.0786328
• Heavy Atom Count: 33
• Complexity: 643

Purity/Quality:

98%min ^*data from raw suppliers

Tubulozole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)NC1=CC=C(C=C1)SCC2COC(O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
• Isomeric SMILES: CCOC(=O)NC1=CC=C(C=C1)SC[C@@H]2CO[C@@](O2)(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl
• Uses: Tubulozole is an inhibitor of tubulin polymerization; An aneugen.