200,000+ products from a single source!
sales@angenechem.com
85149-75-3 | (1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol
CAS No: 85149-75-3 Catalog No: AG004WT0 MDL No:
Product Description
Catalog Number:
AG004WT0
Chemical Name:
(1S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol
CAS Number:
85149-75-3
Molecular Formula:
C21H25NO4
Molecular Weight:
355.4275
IUPAC Name:
(1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-7-ol
InChI:
InChI=1S/C21H25NO4/c1-4-8-22-9-7-15-12-21(26-3)19(24)13-16(15)17(22)10-14-5-6-20(25-2)18(23)11-14/h4-6,11-13,17,23-24H,1,7-10H2,2-3H3/t17-/m0/s1
InChI Key:
APMFIXDDZMVGLS-KRWDZBQOSA-N
SMILES:
C=CCN1CCc2c([C@@H]1Cc1ccc(c(c1)O)OC)cc(c(c2)OC)O
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
62.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.