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CIQ

CAS No.:
486427-17-2
Catalog Number:
AG00DABF
Molecular Formula:
C26H26ClNO5
Molecular Weight:
467.9413
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
≥98%
1 week
United States
$169
- +
10mg
≥98%
1 week
United States
$248
- +
25mg
99%
1 week
United States
$473
- +
Product Description
Catalog Number:
AG00DABF
Chemical Name:
CIQ
CAS Number:
486427-17-2
Molecular Formula:
C26H26ClNO5
Molecular Weight:
467.9413
MDL Number:
MFCD04411904
IUPAC Name:
(3-chlorophenyl)-[6,7-dimethoxy-1-[(4-methoxyphenoxy)methyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
InChI:
InChI=1S/C26H26ClNO5/c1-30-20-7-9-21(10-8-20)33-16-23-22-15-25(32-3)24(31-2)14-17(22)11-12-28(23)26(29)18-5-4-6-19(27)13-18/h4-10,13-15,23H,11-12,16H2,1-3H3
InChI Key:
VYMILMYEENZHAR-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)OCC1c2cc(OC)c(cc2CCN1C(=O)c1cccc(c1)Cl)OC
Properties
Complexity:
628  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
467.15g/mol
Formal Charge:
0
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
467.946g/mol
Monoisotopic Mass:
467.15g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
57.2A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Properties