2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid

Base Information

• Chemical Name: 2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid
• CAS No.: 115065-79-7
• Molecular Formula: C21H22N2O6S
• Molecular Weight: 430.47
• Hs Code.: 2934100090
• European Community (EC) Number: 601-343-4
• DSSTox Substance ID: DTXSID20697572
• Mol file: 115065-79-7.mol

Synonyms:115065-79-7;2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid;Ceftibuten Sidechain;2-[2-[[(Phenylmethoxy)carbonyl]amino]-4-thiazolyl]-2-pentenedioic acid 5-(3-methyl-2-butenyl) ester;C21H22N2O6S;DTXSID20697572;BCP12092;FT-0687270;2-(2-{[(BENZYLOXY)CARBONYL]AMINO}-1,3-THIAZOL-4-YL)-5-[(3-METHYLBUT-2-EN-1-YL)OXY]-5-OXOPENT-2-ENOIC ACID

Chemical Property of 2-(2-(((Benzyloxy)carbonyl)amino)thiazol-4-yl)-5-((3-methylbut-2-en-1-yl)oxy)-5-oxopent-2-enoic acid

Chemical Property:

• Refractive Index: 1.618
• PKA: 2.90±0.19(Predicted)
• PSA: 143.06000
• Density: 1.329 g/cm³
• LogP: 4.33230
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 11
• Exact Mass: 430.11985760
• Heavy Atom Count: 30
• Complexity: 668

Purity/Quality:

99% ^*data from raw suppliers

(E,Z)-2-(2-Benzyloxycarbonylamino-4-thiazol)-4-(3-methyl-2-butenyloxycarbonyl)-2-butenoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC(=O)CC=C(C1=CSC(=N1)NC(=O)OCC2=CC=CC=C2)C(=O)O)C