Home Amines 109244-58-8
109244-58-8,MFCD04221428
Catalog No.:AA01CP52

109244-58-8 | Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester

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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA01CP52
Chemical Name:
Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester
CAS Number:
109244-58-8
Molecular Formula:
C21H18N2O3
Molecular Weight:
346.3792
MDL Number:
MFCD04221428
SMILES:
COC(=O)c1ccccc1C1c2ccc(cc2Oc2c1ccc(c2)N)N
Properties
Computed Properties
 
Complexity:
488  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
26  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
3  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Kinsey,BermaM.;Kassis,AminI.;Fayad,Fahed;Layne,WarrenW.;Adelstein,S.James[JournalofMedicinalChemistry,1987,vol.30,#10,p.1757-1761]

[1]Wedmann,Rudolf;Zahl,Achim;Shubina,TatyanaE.;Dürr,Maximilian;Heinemann,FrankW.;Bugenhagen,BernhardEberhardChristian;Burger,Peter;Ivanovic-Burmazovic,Ivana;Filipovic,MilosR.[InorganicChemistry,2015,vol.54,#19,p.9367-9380]

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Tags:109244-58-8 Molecular Formula|109244-58-8 MDL|109244-58-8 SMILES|109244-58-8 Benzoic acid, 2-(3,6-diamino-9H-xanthen-9-yl)-, methyl ester