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21278-86-4,MFCD00171745
Catalog No.:AA003F1Q

21278-86-4 | 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
96
in stock  
$36.00   $25.00
- +
1g
96%
in stock  
$51.00   $36.00
- +
5g
96%
in stock  
$123.00   $86.00
- +
10g
96%
in stock  
$178.00   $125.00
- +
25g
96%
in stock  
$393.00   $275.00
- +
100g
96%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA003F1Q
Chemical Name:
2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CAS Number:
21278-86-4
Molecular Formula:
C9H6N2O2S
Molecular Weight:
206.2211
MDL Number:
MFCD00171745
SMILES:
OC(=O)c1csc(n1)c1ccncc1
Properties
Properties
 
BP:
469.3°C at 760 mmHg  
Form:
Solid  
MP:
>300 °C(lit.)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
219  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.4  

Downstream Synthesis Route

[1]Rzasa,RobertM.;Kaller,MatthewR.;Liu,Gang;Magal,Ella;Nguyen,ThomasT.;Osslund,TimothyD.;Powers,David;Santora,VincentJ.;Viswanadhan,VellarkadN.;Wang,Hui-Ling;Xiong,Xiaoling;Zhong,Wenge;Norman,MarkH.[BioorganicandMedicinalChemistry,2007,vol.15,#20,p.6574-6595]

[2]Benkoe,A.;Levente,A.[JustusLiebigsAnnalenderChemie,1968,vol.717,p.148-153]

[3]CurrentPatentAssignee:AMGENINC-US2003/229068,2003,A1Locationinpatent:Page27

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6359134,2002,B1Locationinpatent:Referentialexample19

[5]Liu,Mingming;Liang,Yuru;Zhu,Zhongzhen;Wang,Jin;Cheng,Xingxing;Cheng,Jiayi;Xu,Binpeng;Li,Rong;Liu,Xinhua;Wang,Yang[JournalofMedicinalChemistry,2019,vol.62,#20,p.9299-9314]

Literature

Title: 4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online 20081001

Title: A three-dimensional, noninterpenetrating metal--organic framework with the moganite topology: a simple (4(2)x6(2)x8(2))(4x6(4)x8)(2) net containing two kinds of topologically nonequivalent points.

Journal: Inorganic chemistry 20041101

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SDS
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Tags:21278-86-4 Molecular Formula|21278-86-4 MDL|21278-86-4 SMILES|21278-86-4 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
Catalog No.: AA003F1Q
21278-86-4,MFCD00171745
21278-86-4 | 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
Pack Size： 100mg
Purity： 96
in stock
$36.00 $25.00
Pack Size： 1g
Purity： 96%
in stock
$51.00 $36.00
Pack Size： 5g
Purity： 96%
in stock
$123.00 $86.00
Pack Size： 10g
Purity： 96%
in stock
$178.00 $125.00
Pack Size： 25g
Purity： 96%
in stock
$393.00 $275.00
Pack Size： 100g
Purity： 96%
in stock
$1,154.00 $808.00
Quantity
- +
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Technical Information
Catalog Number: AA003F1Q
Chemical Name: 2-(Pyridin-4-yl)-1,3-thiazole-4-carboxylic acid
CAS Number: 21278-86-4
Molecular Formula: C9H6N2O2S
Molecular Weight: 206.2211
MDL Number: MFCD00171745
SMILES: OC(=O)c1csc(n1)c1ccncc1
Properties
BP: 469.3°C at 760 mmHg  
Form: Solid  
MP: >300 °C(lit.)  
Storage: 2-8℃;  
Complexity: 219  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.4  
Downstream Synthesis Route
21278-85-3    21278-86-4 

[1]Rzasa,RobertM.;Kaller,MatthewR.;Liu,Gang;Magal,Ella;Nguyen,ThomasT.;Osslund,TimothyD.;Powers,David;Santora,VincentJ.;Viswanadhan,VellarkadN.;Wang,Hui-Ling;Xiong,Xiaoling;Zhong,Wenge;Norman,MarkH.[BioorganicandMedicinalChemistry,2007,vol.15,#20,p.6574-6595]

[2]Benkoe,A.;Levente,A.[JustusLiebigsAnnalenderChemie,1968,vol.717,p.148-153]

[3]CurrentPatentAssignee:AMGENINC-US2003/229068,2003,A1Locationinpatent:Page27

[4]CurrentPatentAssignee:TAKEDAPHARMACEUTICALCOMPANYLIMITED-US6359134,2002,B1Locationinpatent:Referentialexample19

[5]Liu,Mingming;Liang,Yuru;Zhu,Zhongzhen;Wang,Jin;Cheng,Xingxing;Cheng,Jiayi;Xu,Binpeng;Li,Rong;Liu,Xinhua;Wang,Yang[JournalofMedicinalChemistry,2019,vol.62,#20,p.9299-9314]

Literature fold

Title: 4-(4-Carb-oxy-1,3-thia-zol-2-yl)pyridinium 3-carb-oxy-4-hydroxy-benzene-sulfonate dihydrate.

Journal: Acta crystallographica. Section E, Structure reports online20081001

Title: A three-dimensional, noninterpenetrating metal--organic framework with the moganite topology: a simple (4(2)x6(2)x8(2))(4x6(4)x8)(2) net containing two kinds of topologically nonequivalent points.

Journal: Inorganic chemistry20041101

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