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42160-40-7,MFCD09891026
Catalog No.:AA019ETC

42160-40-7 | 4-(3,4-Dichlorophenyl)butan-2-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$329.00   $230.00
- +
100mg
95%
3 weeks  
$463.00   $324.00
- +
250mg
95%
3 weeks  
$634.00   $444.00
- +
500mg
95%
3 weeks  
$968.00   $678.00
- +
1g
95%
3 weeks  
$1,225.00   $858.00
- +
2.5g
95%
3 weeks  
$2,099.00   $1,469.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019ETC
Chemical Name:
4-(3,4-Dichlorophenyl)butan-2-one
CAS Number:
42160-40-7
Molecular Formula:
C10H10Cl2O
Molecular Weight:
217.0918
MDL Number:
MFCD09891026
SMILES:
CC(=O)CCc1ccc(c(c1)Cl)Cl
Properties
Computed Properties
 
Complexity:
182  
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:
1  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
3  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Downstream Synthesis Route

[1]Patent:WO2013/48982,2013,A1

[2]Patent:WO2013/49096,2013,A1

[3]ACSMedicinalChemistryLetters,2018,vol.9,p.673-678

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/48942,2013,A1Locationinpatent:Paragraph00191

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/151923,2013,A1Locationinpatent:Paragraph00173

42160-40-7    30459-17-7   
C21H24Cl2F3N3 

[1]Patent:WO2013/29057,2013,A2.Locationinpatent:Paragraph0430

[1]CurrentPatentAssignee:COGNITIONTHERAPEUTICSINC-WO2013/29057,2013,A2Locationinpatent:Paragraph0434

[2]CurrentPatentAssignee:COGNITIONTHERAPEUTICSINC-US2017/197977,2017,A9Locationinpatent:Paragraph0581-0582

42160-40-7    30459-17-7   
C21H23Cl2F3N2 

[1]Patent:US2017/197977,2017,A9.Locationinpatent:Paragraph0573-0574

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:
Submit
SDS
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Tags:42160-40-7 Molecular Formula|42160-40-7 MDL|42160-40-7 SMILES|42160-40-7 4-(3,4-Dichlorophenyl)butan-2-one
Catalog No.: AA019ETC
42160-40-7,MFCD09891026
42160-40-7 | 4-(3,4-Dichlorophenyl)butan-2-one
Pack Size： 50mg
Purity： 95%
3 weeks
$329.00 $230.00
Pack Size： 100mg
Purity： 95%
3 weeks
$463.00 $324.00
Pack Size： 250mg
Purity： 95%
3 weeks
$634.00 $444.00
Pack Size： 500mg
Purity： 95%
3 weeks
$968.00 $678.00
Pack Size： 1g
Purity： 95%
3 weeks
$1,225.00 $858.00
Pack Size： 2.5g
Purity： 95%
3 weeks
$2,099.00 $1,469.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019ETC
Chemical Name: 4-(3,4-Dichlorophenyl)butan-2-one
CAS Number: 42160-40-7
Molecular Formula: C10H10Cl2O
Molecular Weight: 217.0918
MDL Number: MFCD09891026
SMILES: CC(=O)CCc1ccc(c(c1)Cl)Cl
Properties
Complexity: 182  
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: 1  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 3  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
Downstream Synthesis Route
25173-68-6    42160-40-7 

[1]Patent:WO2013/48982,2013,A1

[2]Patent:WO2013/49096,2013,A1

[3]ACSMedicinalChemistryLetters,2018,vol.9,p.673-678

598-32-3    20555-91-3    42160-40-7 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/48942,2013,A1Locationinpatent:Paragraph00191

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2013/151923,2013,A1Locationinpatent:Paragraph00173

42160-40-7    30459-17-7   
C21H24Cl2F3N3 

[1]Patent:WO2013/29057,2013,A2.Locationinpatent:Paragraph0430

74546-02-4    42160-40-7 

[1]CurrentPatentAssignee:COGNITIONTHERAPEUTICSINC-WO2013/29057,2013,A2Locationinpatent:Paragraph0434

[2]CurrentPatentAssignee:COGNITIONTHERAPEUTICSINC-US2017/197977,2017,A9Locationinpatent:Paragraph0581-0582

42160-40-7    30459-17-7   
C21H23Cl2F3N2 

[1]Patent:US2017/197977,2017,A9.Locationinpatent:Paragraph0573-0574

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