Butixocort 21-propionate

Base Information

• Chemical Name: Butixocort 21-propionate
• CAS No.: 98449-05-9
• Molecular Formula: C28H40O6S
• Molecular Weight: 504.6786
• UNII: V5R88KKA0L
• DSSTox Substance ID: DTXSID80913265
• Nikkaji Number: J391.924B
• Wikidata: Q82883838
• Mol file: 98449-05-9.mol

Synonyms:butixocort 21-propionate;JO 1222;JO-1222

Chemical Property of Butixocort 21-propionate

Chemical Property:

• Vapor Pressure: 5.2E-18mmHg at 25°C
• Boiling Point: 620.8°Cat760mmHg
• Flash Point: 329.2°C
• PSA: 123.04000
• Density: 1.22g/cm³
• LogP: 4.81010
• XLogP3: 4.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 504.25456017
• Heavy Atom Count: 35
• Complexity: 942

Purity/Quality:

BUTIXOCORT 21-PROPIONATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)OC1(CCC2C1(CC(C3C2CCC4=CC(=O)CCC34C)O)C)C(=O)CSC(=O)CC
• Isomeric SMILES: CCCC(=O)O[C@@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)O)C)C(=O)CSC(=O)CC