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Home Carboxys Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate

CAS No.:
24237-54-5
Catalog Number:
AG00BBOJ
Molecular Formula:
C17H20N2O2S
Molecular Weight:
316.4179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$50
- +
5g
95%
In Stock USA
United States
$125
- +
10g
95%
In Stock USA
United States
$213
- +
25g
95%
In Stock USA
United States
$413
- +
100g
95%
In Stock USA
United States
$1225
- +
Product Description
Catalog Number:
AG00BBOJ
Chemical Name:
Ethyl 2-amino-6-benzyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxylate
CAS Number:
24237-54-5
Molecular Formula:
C17H20N2O2S
Molecular Weight:
316.4179
MDL Number:
MFCD00401417
IUPAC Name:
ethyl 2-amino-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylate
InChI:
InChI=1S/C17H20N2O2S/c1-2-21-17(20)15-13-8-9-19(11-14(13)22-16(15)18)10-12-6-4-3-5-7-12/h3-7H,2,8-11,18H2,1H3
InChI Key:
PFENFDGYVLAFBR-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)sc2c1CCN(C2)Cc1ccccc1
EC Number:
246-102-0
UNII:
C9Z9ICZ7YR
NSC Number:
158555
Properties
Complexity:
387  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.125g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
316.419g/mol
Monoisotopic Mass:
316.125g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
Capture hydrolysis signals in the microsomal stability assay: molecular mechanisms of the alkyl ester drug and prodrug metabolism. Bioorganic & medicinal chemistry letters 20120115
Ethyl 2-amino-6-benzyl-4,5,6,7-tetra-hydro-thieno[2,3-c]pyridine-3-carboxyl-ate. Acta crystallographica. Section E, Structure reports online 20110101
3- and 6-Substituted 2-amino-4,5,6,7-tetrahydrothieno[2,3-c]pyridines as A1 adenosine receptor allosteric modulators and antagonists. Bioorganic & medicinal chemistry 20091015
Properties