Home Fluorides 681482-81-5
681482-81-5,MFCD16170437
Catalog No.:AA005MFS

681482-81-5 | 4-(4-[4-(Trifluoromethoxy)phenoxy]piperidino)benzenol

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1mg
>90%
1 week  
$299.00   $209.00
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5mg
>90%
1 week  
$319.00   $223.00
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10mg
>90%
1 week  
$358.00   $250.00
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1g
95%
1 week  
$450.00   $315.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005MFS
Chemical Name:
4-(4-[4-(Trifluoromethoxy)phenoxy]piperidino)benzenol
CAS Number:
681482-81-5
Molecular Formula:
C18H18F3NO3
Molecular Weight:
353.3356
MDL Number:
MFCD16170437
SMILES:
FC(Oc1ccc(cc1)OC1CCN(CC1)c1ccc(cc1)O)(F)F
Properties
Properties
 
Form:
Solid  
MP:
113-114°C  
Storage:
2-8℃;Inert atmosphere;  

Computed Properties
 
Complexity:
397  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
5.1  

Downstream Synthesis Route
681490-93-7    681482-81-5   
delamanid 

[1]Sasaki,Hirofumi;Haraguchi,Yoshikazu;Itotani,Motohiro;Kuroda,Hideaki;Hashizume,Hiroyuki;Tomishige,Tatsuo;Kawasaki,Masanori;Matsumoto,Makoto;Komatsu,Makoto;Tsubouchi,Hidetsugu[JournalofMedicinalChemistry,2006,vol.49,#26,p.7854-7860]

[1]JournalofMedicinalChemistry,2006,vol.49,p.7854-7860

[2]Patent:CN108929317,2018,A

[3]NatureChemistry,2019,vol.11,p.426-433

[1]Patent:WO2005/92832,2005,A1.Locationinpatent:Page/Pagecolumn48-49

[2]Patent:WO2005/92832,2005,A1.Locationinpatent:Page/Pagecolumn48

[3]Patent:WO2008/140090,2008,A1.Locationinpatent:Page/Pagecolumn33-34

598-09-4    681482-81-5   
1-{4-(2-methyloxiran-2-yl)methoxyphenyl}-4-4-(trifluoromethoxy)phenoxy-piperidine 

[1]Thompson,AndrewM.;Blaser,Adrian;Palmer,BrianD.;Anderson,RobertF.;Shinde,SujataS.;Launay,Delphine;Chatelain,Eric;Maes,Louis;Franzblau,ScottG.;Wan,Baojie;Wang,Yuehong;Ma,Zhenkun;Denny,WilliamA.[BioorganicandMedicinalChemistryLetters,2017,vol.27,#11,p.2583-2589]

Literature
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SDS
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Tags:681482-81-5 Molecular Formula|681482-81-5 MDL|681482-81-5 SMILES|681482-81-5 4-(4-[4-(Trifluoromethoxy)phenoxy]piperidino)benzenol