Home Bromides 22647-95-6
22647-95-6,MFCD09890955
Catalog No.:AA00BGL0

22647-95-6 | 5-(4-bromophenyl)pentanoic acid

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100mg
95%
in stock  
$39.00   $27.00
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250mg
95%
in stock  
$62.00   $43.00
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1g
95%
in stock  
$243.00   $171.00
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  • Technical Information
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  • Downstream Synthesis Route
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
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Technical Information
Catalog Number:
AA00BGL0
Chemical Name:
5-(4-bromophenyl)pentanoic acid
CAS Number:
22647-95-6
Molecular Formula:
C11H13BrO2
Molecular Weight:
257.1237
MDL Number:
MFCD09890955
SMILES:
OC(=O)CCCCc1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
174  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Shiraishi,Mitsuru;Aramaki,Yoshio;Seto,Masaki;Imoto,Hiroshi;Nishikawa,Youichi;Kanzaki,Naoyuki;Okamoto,Mika;Sawada,Hidekazu;Nishimura,Osamu;Baba,Masanori;Fujino,Masahiko[JournalofMedicinalChemistry,2000,vol.43,#10,p.2049-2063]

[2]Junker,Anna;Schepmann,Dirk;Yamaguchi,Junichiro;Itami,Kenichiro;Faust,Andreas;Kopka,Klaus;Wagner,Stefan;Wuensch,Bernhard[OrganicandBiomolecularChemistry,2014,vol.12,#1,p.177-186]

[3]Gruber,Rene;Cagniant,Denise;Cagniant,Paul[BulletindelaSocieteChimiquedeFrance,1983,vol.2,#3-4,p.96-104]

[4]Ebine,S.etal.[BulletinoftheChemicalSocietyofJapan,1968,vol.41,p.2942-2948]

[5]Boeckler,FrankM.;Ernst,Christoph;Hennig,Susanne;Ibrahim,TamerM.;Lange,Andreas[DrugDesign,DevelopmentandTherapy,2019,vol.13,p.4247-4263]

[1]Ebine,S.etal.[BulletinoftheChemicalSocietyofJapan,1968,vol.41,p.2942-2948]

[1]OrganicandBiomolecularChemistry,2014,vol.12,p.177-186

[2]JournalofMedicinalChemistry,2000,vol.43,p.2049-2063

[3]Patent:WO2009/39553,2009,A1.Locationinpatent:Page/Pagecolumn94-95

[4]AngewandteChemie-InternationalEdition,2019,vol.58,p.16490-16494    Angew.Chem.,2019,vol.131,p.16642-16646,5

[5]DrugDesign,DevelopmentandTherapy,2019,vol.13,p.4247-4263

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2016/40225,2016,A1Locationinpatent:Paragraph00251

[2]Zaidlewicz,Marek;Wolan,Andrzej[JournalofOrganometallicChemistry,2002,vol.657,#1-2,p.129-135]

[3]Betori,RickC.;May,CatherineM.;Scheidt,KarlA.[AngewandteChemie-InternationalEdition,2019,vol.58,#46,p.16490-16494][Angew.Chem.,2019,vol.131,p.16642-16646,5]

Literature
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Tags:22647-95-6 Molecular Formula|22647-95-6 MDL|22647-95-6 SMILES|22647-95-6 5-(4-bromophenyl)pentanoic acid