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169158-01-4,MFCD30472153
Catalog No.:AA019ES3

169158-01-4 | (S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
97%
2 weeks  
$343.00   $240.00
- +
250mg
97%
2 weeks  
$608.00   $425.00
- +
500mg
97%
2 weeks  
$848.00   $594.00
- +
1g
97%
2 weeks  
$1,172.00   $820.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA019ES3
Chemical Name:
(S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate
CAS Number:
169158-01-4
Molecular Formula:
C17H22F3NO7S
Molecular Weight:
441.4193
MDL Number:
MFCD30472153
SMILES:
CCOC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
660  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
10  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
10  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
4  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2020,vol.63,p.4171-4182

[2]Patent:WO2004/46091,2004,A2.Locationinpatent:Page38

[3]ChemicalandPharmaceuticalBulletin,2001,vol.49,p.258-267

[4]Patent:WO2003/72536,2003,A1.Locationinpatent:Page/Pagecolumn21

[5]Patent:WO2016/109501,2016,A1.Locationinpatent:Page/Pagecolumn76

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-WO2003/72536,2003,A1Locationinpatent:Page/Pagecolumn22

Literature
Quotation Request
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SDS
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Tags:169158-01-4 Molecular Formula|169158-01-4 MDL|169158-01-4 SMILES|169158-01-4 (S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate
Catalog No.: AA019ES3
169158-01-4,MFCD30472153
169158-01-4 | (S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate
Pack Size： 100mg
Purity： 97%
2 weeks
$343.00 $240.00
Pack Size： 250mg
Purity： 97%
2 weeks
$608.00 $425.00
Pack Size： 500mg
Purity： 97%
2 weeks
$848.00 $594.00
Pack Size： 1g
Purity： 97%
2 weeks
$1,172.00 $820.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA019ES3
Chemical Name: (S)-Ethyl 2-((Tert-Butoxycarbonyl)Amino)-3-(4-(((Trifluoromethyl)Sulfonyl)Oxy)Phenyl)Propanoate
CAS Number: 169158-01-4
Molecular Formula: C17H22F3NO7S
Molecular Weight: 441.4193
MDL Number: MFCD30472153
SMILES: CCOC(=O)[C@H](Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Complexity: 660  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 10  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 10  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 4  
Downstream Synthesis Route
358-23-6    72594-77-5    169158-01-4 

[1]JournalofMedicinalChemistry,2020,vol.63,p.4171-4182

[2]Patent:WO2004/46091,2004,A2.Locationinpatent:Page38

[3]ChemicalandPharmaceuticalBulletin,2001,vol.49,p.258-267

[4]Patent:WO2003/72536,2003,A1.Locationinpatent:Page/Pagecolumn21

[5]Patent:WO2016/109501,2016,A1.Locationinpatent:Page/Pagecolumn76

169158-01-4    591249-50-2    591249-51-3 

[1]CurrentPatentAssignee:MITSUBISHICHEMICALHOLDINGSCORPORATION-WO2003/72536,2003,A1Locationinpatent:Page/Pagecolumn22

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