Home Amines 500770-78-5
500770-78-5,MFCD03427926
Catalog No.:AA003CKB

500770-78-5 | Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$11.00   $8.00
- +
250mg
95%
in stock  
$14.00   $10.00
- +
1g
95%
in stock  
$51.00   $36.00
- +
5g
95%
in stock  
$250.00   $175.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003CKB
Chemical Name:
Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid
CAS Number:
500770-78-5
Molecular Formula:
C15H18F3NO4
Molecular Weight:
333.3029
MDL Number:
MFCD03427926
SMILES:
OC(=O)C[C@@H](c1cccc(c1)C(F)(F)F)NC(=O)OC(C)(C)C
Properties
Properties
 
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
431  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
2.8  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BAYERAG-US2013/231313,2013,A1Locationinpatent:Paragraph0509;0510;0511;0512

[1]CurrentPatentAssignee:BAYERAG-US2013/231313,2013,A1Locationinpatent:Paragraph0501;0502;0503;0504

[1]CurrentPatentAssignee:BAYERAG-US2013/231313,2013,A1

[1]CurrentPatentAssignee:BAYERAG-US2013/231313,2013,A1

500770-78-5   
C30H34N4O5S 
 
C45H50F3N5O8S 

[1]Trilles,Richard;Beglov,Dmitri;Chen,Qiujia;He,Hongzhen;Wireman,Randall;Reed,April;Chennamadhavuni,Spandan;Panek,JamesS.;Brown,LaurenE.;Vajda,Sandor;Porco,JohnA.;Kelley,MarkR.;Georgiadis,MillieM.[JournalofMedicinalChemistry,2019,vol.62,#4,p.1971-1988]

Literature
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SDS
Tags:500770-78-5 Molecular Formula|500770-78-5 MDL|500770-78-5 SMILES|500770-78-5 Boc-(s)-3-amino-3-(3-trifluoromethyl-phenyl)-propionic acid