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Home Amines 1245643-11-1
1245643-11-1,MFCD18072579
Catalog No.:AA000M5S

1245643-11-1 | Methyl 3,4-diamino-5-bromobenzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$13.00   $9.00
- +
1g
95%
in stock  
$26.00   $18.00
- +
2g
95%
in stock  
$49.00   $34.00
- +
5g
95%
in stock  
$87.00   $61.00
- +
100g
98%
in stock  
$1,407.00   $985.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA000M5S
Chemical Name:
Methyl 3,4-diamino-5-bromobenzoate
CAS Number:
1245643-11-1
Molecular Formula:
C8H9BrN2O2
Molecular Weight:
245.0733
MDL Number:
MFCD18072579
SMILES:
COC(=O)c1cc(N)c(c(c1)Br)N
Properties
Computed Properties
 
Complexity:
201  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Upstream Synthesis Route

[1]Patent:US2011/111046,2011,A1,.Locationinpatent:Page/Pagecolumn19

[2]Patent:WO2011/58473,2011,A1,.Locationinpatent:Page/Pagecolumn39;40

[3]Patent:WO2016/77378,2016,A1,.Locationinpatent:Page/Pagecolumn111;112

Downstream Synthesis Route

[1]Patent:US2011/111046,2011,A1.Locationinpatent:Page/Pagecolumn19

[2]Patent:WO2011/58473,2011,A1.Locationinpatent:Page/Pagecolumn40

[1]JournalofMedicinalChemistry,2018,vol.61,p.9301-9315

[2]Patent:US2011/111046,2011,A1.Locationinpatent:Page/Pagecolumn19

[3]Patent:WO2011/58473,2011,A1.Locationinpatent:Page/Pagecolumn39;40

[4]Patent:WO2016/77378,2016,A1.Locationinpatent:Page/Pagecolumn111;112

[1]Patent:US2011/111046,2011,A1

[1]Patent:US2011/111046,2011,A1

[2]Patent:WO2011/58473,2011,A1

1245643-11-1    122-51-0   
methyl4-bromo-1H-benzodimidazole-6-carboxylate 

[1]JournalofMedicinalChemistry,2018,vol.61,p.9301-9315

[2]Patent:WO2016/77378,2016,A1.Locationinpatent:Page/Pagecolumn112

Literature
Quotation Request
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Additional Info:
SDS
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Tags:1245643-11-1 Molecular Formula|1245643-11-1 MDL|1245643-11-1 SMILES|1245643-11-1 Methyl 3,4-diamino-5-bromobenzoate