Home Carboxys 1-Carboxymethyl-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester

1-Carboxymethyl-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester

CAS No.:
282524-92-9
Catalog Number:
AG00BE21
Molecular Formula:
C18H25NO6
Molecular Weight:
351.3942
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
In Stock USA
United States
$89
- +
250mg
In Stock USA
United States
$165
- +
500mg
In Stock USA
United States
$269
- +
1g
In Stock USA
United States
$457
- +
2.5g
In Stock USA
United States
$922
- +
5g
In Stock USA
United States
$1582
- +
10g
In Stock USA
United States
$2728
- +
Product Description
Catalog Number:
AG00BE21
Chemical Name:
1-Carboxymethyl-6,7-dimethoxy-3,4-dihydro-1h-isoquinoline-2-carboxylic acid tert-butyl ester
CAS Number:
282524-92-9
Molecular Formula:
C18H25NO6
Molecular Weight:
351.3942
MDL Number:
MFCD02258126
IUPAC Name:
2-[6,7-dimethoxy-2-[(2-methylpropan-2-yl)oxycarbonyl]-3,4-dihydro-1H-isoquinolin-1-yl]acetic acid
InChI:
InChI=1S/C18H25NO6/c1-18(2,3)25-17(22)19-7-6-11-8-14(23-4)15(24-5)9-12(11)13(19)10-16(20)21/h8-9,13H,6-7,10H2,1-5H3,(H,20,21)
InChI Key:
FWZODGSEBDLSLX-UHFFFAOYSA-N
SMILES:
COc1cc2CCN(C(c2cc1OC)CC(=O)O)C(=O)OC(C)(C)C
Properties
Complexity:
488  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
351.168g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
351.399g/mol
Monoisotopic Mass:
351.168g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
85.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties