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128502-56-7,MFCD00819133
Catalog No.:AA0039M7

128502-56-7 | (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$30.00   $21.00
- +
1g
97%
in stock  
$37.00   $26.00
- +
5g
97%
in stock  
$180.00   $126.00
- +
10g
97%
in stock  
$358.00   $251.00
- +
25g
97%
in stock  
$893.00   $625.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0039M7
Chemical Name:
(3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
CAS Number:
128502-56-7
Molecular Formula:
C10H11NO3
Molecular Weight:
193.1992
MDL Number:
MFCD00819133
SMILES:
OC(=O)[C@H]1NCc2c(C1)ccc(c2)O
Properties
Computed Properties
 
Complexity:
231  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
-1.7  

Synonyms
 
  
Upstream Synthesis Route

[1]Synthesis,1992,#5,p.458-460

[2]Patent:WO2013/192286,2013,A1,.Locationinpatent:Paragraph00162

[3]JournalofMedicinalChemistry,2015,vol.58,#3,p.1556-1562

[1]Synthesis,1992,#5,p.458-460

[2]Patent:WO2013/192286,2013,A1,

[3]JournalofMedicinalChemistry,2015,vol.58,#3,p.1556-1562

Downstream Synthesis Route

[1]Heterocycles,2001,vol.55,p.689-704

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

128502-56-7   
(S)-7-Phenyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

128502-56-7   
(S)-7-Thiophen-3-yl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

Literature
Quotation Request
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SDS
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Tags:128502-56-7 Molecular Formula|128502-56-7 MDL|128502-56-7 SMILES|128502-56-7 (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
Catalog No.: AA0039M7
128502-56-7,MFCD00819133
128502-56-7 | (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
Pack Size： 250mg
Purity： 97%
in stock
$30.00 $21.00
Pack Size： 1g
Purity： 97%
in stock
$37.00 $26.00
Pack Size： 5g
Purity： 97%
in stock
$180.00 $126.00
Pack Size： 10g
Purity： 97%
in stock
$358.00 $251.00
Pack Size： 25g
Purity： 97%
in stock
$893.00 $625.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0039M7
Chemical Name: (3S)-1,2,3,4-Tetrahydroisoquinoline-7-hydroxy-3-carboxylic acid dihydrate
CAS Number: 128502-56-7
Molecular Formula: C10H11NO3
Molecular Weight: 193.1992
MDL Number: MFCD00819133
SMILES: OC(=O)[C@H]1NCc2c(C1)ccc(c2)O
Properties
Complexity: 231  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 14  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: -1.7  
50:   
Upstream Synthesis Route
142335-40-8    128502-56-7 

[1]Synthesis,1992,#5,p.458-460

[2]Patent:WO2013/192286,2013,A1,.Locationinpatent:Paragraph00162

[3]JournalofMedicinalChemistry,2015,vol.58,#3,p.1556-1562

300-39-0    128502-56-7 

[1]Synthesis,1992,#5,p.458-460

[2]Patent:WO2013/192286,2013,A1,

[3]JournalofMedicinalChemistry,2015,vol.58,#3,p.1556-1562

Downstream Synthesis Route
128502-56-7    201413-66-3 

[1]Heterocycles,2001,vol.55,p.689-704

128502-56-7    150417-23-5 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

128502-56-7    477533-63-4 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

128502-56-7   
(S)-7-Phenyl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

128502-56-7   
(S)-7-Thiophen-3-yl-1,2,3,4-tetrahydro-isoquinoline-3-carboxylicacidmethylester 

[1]BioorganicandMedicinalChemistryLetters,2000,vol.10,p.167-170

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