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Home Carboxys Diethyl 2-amino-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate

Diethyl 2-amino-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate

CAS No.:
24264-33-3
Catalog Number:
AG00BCPI
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$55
- +
5g
95%
1 week
United States
$77
- +
25g
95%
1 week
United States
$170
- +
100g
95%
1 week
United States
$524
- +
500g
95%
1 week
United States
$1975
- +
Product Description
Catalog Number:
AG00BCPI
Chemical Name:
Diethyl 2-amino-4,7-dihydrothieno[2,3-c]pyridine-3,6(5h)-dicarboxylate
CAS Number:
24264-33-3
Molecular Formula:
C13H18N2O4S
Molecular Weight:
298.3580
MDL Number:
MFCD01176952
IUPAC Name:
diethyl 2-amino-5,7-dihydro-4H-thieno[2,3-c]pyridine-3,6-dicarboxylate
InChI:
InChI=1S/C13H18N2O4S/c1-3-18-12(16)10-8-5-6-15(13(17)19-4-2)7-9(8)20-11(10)14/h3-7,14H2,1-2H3
InChI Key:
ZXVBJHACOKTQHG-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCc2c(C1)sc(c2C(=O)OCC)N
Properties
Complexity:
379  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
298.099g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
298.357g/mol
Monoisotopic Mass:
298.099g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties