4,4-Bis(acetylsarcosyl)synestrol

Base Information

• Chemical Name: 4,4-Bis(acetylsarcosyl)synestrol
• CAS No.: 91147-86-3
• Molecular Formula: C48H54 Cl4 N4 O6
• Molecular Weight: 924.77756
• Mol file: 91147-86-3.mol

Synonyms:4,4-bis(acetylsarcosyl)synestrol;XTL 51;XTL-51

Chemical Property of 4,4-Bis(acetylsarcosyl)synestrol

Chemical Property:

• Boiling Point: 996.9°Cat760mmHg
• Flash Point: 556.7°C
• PSA: 121.70000
• Density: 1.307g/cm³
• LogP: 9.85900
• XLogP3: 10.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 23
• Exact Mass: 924.276796
• Heavy Atom Count: 62
• Complexity: 1350

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=C(C1=CC=C(C=C1)N(C(CC2=CC=C(C=C2)N(CCCl)CCCl)C(=O)O)C(=O)C)C(=CC)C3=CC=C(C=C3)N(C(CC4=CC=C(C=C4)N(CCCl)CCCl)C(=O)O)C(=O)C
• Isomeric SMILES: C/C=C(/C(=C/C)/C1=CC=C(C=C1)N(C(=O)C)[C@H](C(=O)O)CC2=CC=C(C=C2)N(CCCl)CCCl)\C3=CC=C(C=C3)N(C(=O)C)[C@H](C(=O)O)CC4=CC=C(C=C4)N(CCCl)CCCl