D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester

Base Information

• Chemical Name: D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester
• CAS No.: 223920-67-0
• Molecular Formula: C21H19 N3 O7 S2
• Molecular Weight: 489.52
• Hs Code.: 2934208090
• DSSTox Substance ID: DTXSID20420721
• Mol file: 223920-67-0.mol

Synonyms:223920-67-0;D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester;D-Luciferin 1-(4,5-dimethoxy-2- nitrophenyl) ethyl ester;1-(4,5-dimethoxy-2-nitrophenyl)ethyl (4S,Z)-2-(6-oxobenzo[d]thiazol-2(6H)-ylidene)thiazolidine-4-carboxylate;DMNPE-caged Luciferin;SCHEMBL13401857;DTXSID20420721;AKOS040748264;L-8300;2-(2-Cyano-2-phenylethylidene)hydrazinecarbothioamide;luciferin 1-(4,5-dimethoxy-2-nitrophenyl) ethyl ester;1-(4,5-DIMETHOXY-2-NITROPHENYL)ETHYL (4S)-2-(6-HYDROXY-1,3-BENZOTHIAZOL-2-YL)-4,5-DIHYDRO-1,3-THIAZOLE-4-CARBOXYLATE

Chemical Property of D-Luciferin 1-(4,5-dimethoxy-2-nitrophenyl)ethyl ester

Chemical Property:

• Appearance/Colour: yellowish powder
• Melting Point: 216-220°C
• PSA: 189.60000
• LogP: 4.05250
• Water Solubility.: insoluble in water, soluble in DMF
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 489.06644230
• Heavy Atom Count: 33
• Complexity: 767

Purity/Quality:

99% ^*data from raw suppliers

D-Luciferin1-(4,5-dimethoxy-2-nitrophenyl)ethylester ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC(=O)C2CSC(=N2)C3=NC4=C(S3)C=C(C=C4)O
• Isomeric SMILES: CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OC(=O)[C@H]2CSC(=N2)C3=NC4=C(S3)C=C(C=C4)O