16361-24-3,MFCD00052301
Catalog No.:AA001U7G

16361-24-3 | 5-Chloro-benzo[b]thiophene-3-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$50.00   $35.00
- +
250mg
95%
in stock  
$96.00   $67.00
- +
1g
95%
in stock  
$239.00   $167.00
- +
5g
95%
in stock  
$964.00 $675.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA001U7G
Chemical Name:
5-Chloro-benzo[b]thiophene-3-carboxylic acid
CAS Number:
16361-24-3
Molecular Formula:
C9H5ClO2S
Molecular Weight:
212.6528
MDL Number:
MFCD00052301
SMILES:
Clc1ccc2c(c1)c(cs2)C(=O)O
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Downstream Synthesis Route
16361-24-3    6232-88-8    3963-62-0    35737-10-1   
3-(4-N-(5-chlorobenzobthiophen-3-carbonyl)-N-(2,2-diphenylethyl)aminomethyl}benzoylamino)propionicacid 

[1]Lau,Jesper;Behrens,Garsten;Sidelmann,UllaG.;Knudsen,LotteB.;Lundt,Behrend;Sams,Christian;Ynddal,Lars;Brand,ChristianL.;Pridal,Lone;Ling,Anthony;Kiel,Dan;Plewe,Michael;Shi,Shengua;Madsen,Peter[JournalofMedicinalChemistry,2007,vol.50,#1,p.113-128]

16361-24-3   
C25H25N2O3Pol 
 
C34H28ClN2O4PolS 

[1]CurrentPatentAssignee:PFIZERINC-EP1183229,2005,B1Locationinpatent:Page/Pagecolumn34

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US4548948,1985,A

[1]CurrentPatentAssignee:SANOFI-WO2008/151211,2008,A1Locationinpatent:Page/Pagecolumn150-151

Literature
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Additional Info:
SDS
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Tags:16361-24-3 Molecular Formula|16361-24-3 MDL|16361-24-3 SMILES|16361-24-3 5-Chloro-benzo[b]thiophene-3-carboxylic acid
Catalog No.: AA001U7G
16361-24-3,MFCD00052301
16361-24-3 | 5-Chloro-benzo[b]thiophene-3-carboxylic acid
Pack Size: 100mg
Purity: 95%
in stock
$50.00 $35.00
Pack Size: 250mg
Purity: 95%
in stock
$96.00 $67.00
Pack Size: 1g
Purity: 95%
in stock
$239.00 $167.00
Pack Size: 5g
Purity: 95%
in stock
$964.00 $675.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA001U7G
Chemical Name: 5-Chloro-benzo[b]thiophene-3-carboxylic acid
CAS Number: 16361-24-3
Molecular Formula: C9H5ClO2S
Molecular Weight: 212.6528
MDL Number: MFCD00052301
SMILES: Clc1ccc2c(c1)c(cs2)C(=O)O
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Downstream Synthesis Route
16361-24-3    6232-88-8    3963-62-0    35737-10-1   
3-(4-N-(5-chlorobenzobthiophen-3-carbonyl)-N-(2,2-diphenylethyl)aminomethyl}benzoylamino)propionicacid 

[1]Lau,Jesper;Behrens,Garsten;Sidelmann,UllaG.;Knudsen,LotteB.;Lundt,Behrend;Sams,Christian;Ynddal,Lars;Brand,ChristianL.;Pridal,Lone;Ling,Anthony;Kiel,Dan;Plewe,Michael;Shi,Shengua;Madsen,Peter[JournalofMedicinalChemistry,2007,vol.50,#1,p.113-128]

16361-24-3   
C25H25N2O3Pol 
 
C34H28ClN2O4PolS 

[1]CurrentPatentAssignee:PFIZERINC-EP1183229,2005,B1Locationinpatent:Page/Pagecolumn34

16296-68-7    16361-24-3 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-US4548948,1985,A

16361-24-3    141104-65-6    1092448-02-6 

[1]CurrentPatentAssignee:SANOFI-WO2008/151211,2008,A1Locationinpatent:Page/Pagecolumn150-151

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