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127168-94-9,MFCD16621700
Catalog No.:AA000WNB

127168-94-9 | Methyl 2-benzylisoindoline-5-carboxylate

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Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$293.00   $205.00
- +
1g
95%
in stock  
$684.00   $479.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000WNB
Chemical Name:
Methyl 2-benzylisoindoline-5-carboxylate
CAS Number:
127168-94-9
Molecular Formula:
C17H17NO2
Molecular Weight:
267.3224
MDL Number:
MFCD16621700
SMILES:
COC(=O)c1ccc2c(c1)CN(C2)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
338  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Rotatable Bond Count:
4  
XLogP3:
2.7  

Downstream Synthesis Route

[1]BioorganicandMedicinalChemistryLetters,2005,vol.15,p.2647-2652

[2]Patent:WO2022/3610,2022,A1

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1Locationinpatent:Page15

[1]Patent:EP885186,2003,B1

[2]Patent:US6114390,2000,A

[1]Patent:US5026856,1991,A

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2004/37788,2004,A1

Literature
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SDS
Tags:127168-94-9 Molecular Formula|127168-94-9 MDL|127168-94-9 SMILES|127168-94-9 Methyl 2-benzylisoindoline-5-carboxylate