346599-63-1,MFCD09832903
Catalog No.:AA00BYEZ

346599-63-1 | 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$25.00   $18.00
- +
250mg
95%
in stock  
$35.00   $25.00
- +
1g
≥95%
in stock  
$41.00   $29.00
- +
5g
≥95%
in stock  
$145.00   $102.00
- +
10g
≥95%
in stock  
$286.00   $200.00
- +
25g
95%
in stock  
$583.00 $408.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00BYEZ
Chemical Name:
4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CAS Number:
346599-63-1
Molecular Formula:
C6H4ClN3O
Molecular Weight:
169.5685
MDL Number:
MFCD09832903
SMILES:
O=C1Nc2c(C1)c(Cl)ncn2
Properties
Properties
 
BP:
293.8°C at 760 mmHg  
Form:
Solid  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
187  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.3  

Synonyms
 
  
Downstream Synthesis Route
68282-53-1    346599-63-1   
4-chloro-5-(5-methyl-3H-imidazol-4-ylmethylene)-5,7-dihydro-pyrrolo2,3-dpyrimidin-6-one 

[1]Patent:US2002/183319,2002,A1

[1]Patent:WO2008/155421,2008,A2.Locationinpatent:Page/Pagecolumn67

[1]CurrentPatentAssignee:ELILILLY&CO-US2010/120801,2010,A1Locationinpatent:Page/Pagecolumn21

[1]Patent:US2010/120801,2010,A1.Locationinpatent:Page/Pagecolumn21

[1]Patent:WO2006/31491,2006,A2.Locationinpatent:Page/Pagecolumn38;52-53

[2]Patent:WO2006/31513,2006,A2.Locationinpatent:Page/Pagecolumn38;49

[3]Patent:WO2006/31610,2006,A2.Locationinpatent:Page/Pagecolumn39;56

[4]Patent:WO2007/61696,2007,A2.Locationinpatent:Page/Pagecolumn65;85

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
SDS
Tags:346599-63-1 Molecular Formula|346599-63-1 MDL|346599-63-1 SMILES|346599-63-1 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
Catalog No.: AA00BYEZ
346599-63-1,MFCD09832903
346599-63-1 | 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
Pack Size: 100mg
Purity: 95%
in stock
$25.00 $18.00
Pack Size: 250mg
Purity: 95%
in stock
$35.00 $25.00
Pack Size: 1g
Purity: ≥95%
in stock
$41.00 $29.00
Pack Size: 5g
Purity: ≥95%
in stock
$145.00 $102.00
Pack Size: 10g
Purity: ≥95%
in stock
$286.00 $200.00
Pack Size: 25g
Purity: 95%
in stock
$583.00 $408.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00BYEZ
Chemical Name: 4-Chloro-5H-pyrrolo[2,3-d]pyrimidin-6(7H)-one
CAS Number: 346599-63-1
Molecular Formula: C6H4ClN3O
Molecular Weight: 169.5685
MDL Number: MFCD09832903
SMILES: O=C1Nc2c(C1)c(Cl)ncn2
Properties
BP: 293.8°C at 760 mmHg  
Form: Solid  
Storage: Inert atmosphere;2-8℃;  
Complexity: 187  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.3  
46:   
Downstream Synthesis Route
68282-53-1    346599-63-1   
4-chloro-5-(5-methyl-3H-imidazol-4-ylmethylene)-5,7-dihydro-pyrrolo2,3-dpyrimidin-6-one 

[1]Patent:US2002/183319,2002,A1

346599-63-1    150349-36-3    1093799-99-5 

[1]Patent:WO2008/155421,2008,A2.Locationinpatent:Page/Pagecolumn67

346599-63-1    74-88-4    1226804-02-9 

[1]CurrentPatentAssignee:ELILILLY&CO-US2010/120801,2010,A1Locationinpatent:Page/Pagecolumn21

628-21-7    346599-63-1    1226804-08-5 

[1]Patent:US2010/120801,2010,A1.Locationinpatent:Page/Pagecolumn21

6425-66-7    346599-63-1    879132-54-4 

[1]Patent:WO2006/31491,2006,A2.Locationinpatent:Page/Pagecolumn38;52-53

[2]Patent:WO2006/31513,2006,A2.Locationinpatent:Page/Pagecolumn38;49

[3]Patent:WO2006/31610,2006,A2.Locationinpatent:Page/Pagecolumn39;56

[4]Patent:WO2007/61696,2007,A2.Locationinpatent:Page/Pagecolumn65;85

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