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338982-17-5,MFCD01935973
Catalog No.:AA00D4RI

338982-17-5 | 5-Thiazolecarboxylic acid, 2-(2-chlorophenyl)-4-methyl-, ethyl ester

Pack Size
Purity
Availability
Price(USD)
Quantity
  
500mg
>95%
1 week  
$247.00   $173.00
- +
1g
>95%
1 week  
$342.00   $239.00
- +
5g
>95%
1 week  
$1,018.00   $713.00
- +
10g
>95%
1 week  
$1,574.00   $1,102.00
- +
25g
>95%
1 week  
$3,206.00   $2,244.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00D4RI
Chemical Name:
5-Thiazolecarboxylic acid, 2-(2-chlorophenyl)-4-methyl-, ethyl ester
CAS Number:
338982-17-5
Molecular Formula:
C13H12ClNO2S
Molecular Weight:
281.7579
MDL Number:
MFCD01935973
SMILES:
CCOC(=O)c1sc(nc1C)c1ccccc1Cl
Properties
Computed Properties
 
Complexity:
303  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4.2  

Downstream Synthesis Route
ethyl2-bromoacetoacetate 
  15717-17-6    338982-17-5 

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

[2]Ma,Liang;Wang,Taijin;Shi,Min;Fu,Ping;Pei,Heying;Ye,Haoyu[ChemicalBiologyandDrugDesign,2016,p.26-37]

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

[1]Zhou,Wenbo;Huang,Anling;Zhang,Yong;Lin,Qingxiang;Guo,Weikai;You,Zihua;Yi,Zhengfang;Liu,Mingyao;Chen,Yihua[EuropeanJournalofMedicinalChemistry,2015,vol.96,p.269-280]

[1]Zhou,Wenbo;Huang,Anling;Zhang,Yong;Lin,Qingxiang;Guo,Weikai;You,Zihua;Yi,Zhengfang;Liu,Mingyao;Chen,Yihua[EuropeanJournalofMedicinalChemistry,2015,vol.96,p.269-280]

[2]Ma,Liang;Wang,Taijin;Shi,Min;Fu,Ping;Pei,Heying;Ye,Haoyu[ChemicalBiologyandDrugDesign,2016,p.26-37]

Literature
Quotation Request
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SDS
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Tags:338982-17-5 Molecular Formula|338982-17-5 MDL|338982-17-5 SMILES|338982-17-5 5-Thiazolecarboxylic acid, 2-(2-chlorophenyl)-4-methyl-, ethyl ester
Catalog No.: AA00D4RI
338982-17-5,MFCD01935973
338982-17-5 | 5-Thiazolecarboxylic acid, 2-(2-chlorophenyl)-4-methyl-, ethyl ester
Pack Size： 500mg
Purity： >95%
1 week
$247.00 $173.00
Pack Size： 1g
Purity： >95%
1 week
$342.00 $239.00
Pack Size： 5g
Purity： >95%
1 week
$1,018.00 $713.00
Pack Size： 10g
Purity： >95%
1 week
$1,574.00 $1,102.00
Pack Size： 25g
Purity： >95%
1 week
$3,206.00 $2,244.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00D4RI
Chemical Name: 5-Thiazolecarboxylic acid, 2-(2-chlorophenyl)-4-methyl-, ethyl ester
CAS Number: 338982-17-5
Molecular Formula: C13H12ClNO2S
Molecular Weight: 281.7579
MDL Number: MFCD01935973
SMILES: CCOC(=O)c1sc(nc1C)c1ccccc1Cl
Properties
Complexity: 303  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 18  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4.2  
Downstream Synthesis Route
ethyl2-bromoacetoacetate 
  15717-17-6    338982-17-5 

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

338982-17-5    253315-24-1 

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

[2]Ma,Liang;Wang,Taijin;Shi,Min;Fu,Ping;Pei,Heying;Ye,Haoyu[ChemicalBiologyandDrugDesign,2016,p.26-37]

338982-17-5    1384111-07-2 

[1]Li,Guoliang;He,Yundong;Zhou,Wenbo;Wang,Peng;Zhang,Yong;Tong,Weiguang;Wu,Haigang;Liu,Mingyao;Ye,Xiyun;Chen,Yihua[Heterocycles,2014,vol.89,#2,p.453-464]

873-32-5    338982-17-5 

[1]Zhou,Wenbo;Huang,Anling;Zhang,Yong;Lin,Qingxiang;Guo,Weikai;You,Zihua;Yi,Zhengfang;Liu,Mingyao;Chen,Yihua[EuropeanJournalofMedicinalChemistry,2015,vol.96,p.269-280]

15717-17-6    609-15-4    338982-17-5 

[1]Zhou,Wenbo;Huang,Anling;Zhang,Yong;Lin,Qingxiang;Guo,Weikai;You,Zihua;Yi,Zhengfang;Liu,Mingyao;Chen,Yihua[EuropeanJournalofMedicinalChemistry,2015,vol.96,p.269-280]

[2]Ma,Liang;Wang,Taijin;Shi,Min;Fu,Ping;Pei,Heying;Ye,Haoyu[ChemicalBiologyandDrugDesign,2016,p.26-37]

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Historical Records
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613227-72-8
613227-72-8
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