Ifa-cea

Base Information

• Chemical Name: Ifa-cea
• CAS No.: 125108-88-5
• Molecular Formula: C46H71 I N4 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID20925024
• Mol file: 125108-88-5.mol

Synonyms:12-((-5-iodo-4-azido-2-hydroxybenzoyl)amino)dodecanoic acid cholesteryl ester;IFA-CEA

Chemical Property of Ifa-cea

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 128.87000
• Density: g/cm³
• LogP: 13.55020
• XLogP3: 16.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 21
• Exact Mass: 870.45200
• Heavy Atom Count: 55
• Complexity: 1330

Purity/Quality:

80%，90%，95%，98%，99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCCCCCCCCCCNC(=O)C5=CC(=C(C=C5O)N=[N+]=[N-])I)C)C
• Isomeric SMILES: C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CCC(C4)OC(=O)CCCCCCCCCCCNC(=O)C5=CC(=C(C=C5O)N=[N+]=[N-])I)C)C