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1018946-38-7,MFCD22665705
Catalog No.:AA0005RD
1018946-38-7 | Dwk-1339
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$313.00   $219.00
- +
5mg
≥95%
in stock  
$864.00   $605.00
- +
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Technical Information
Catalog Number:
AA0005RD
Chemical Name:
Dwk-1339
CAS Number:
1018946-38-7
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
MDL Number:
MFCD22665705
IUPAC Name:
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-1-benzofuran
InChI:
InChI=1S/C20H22O4/c1-21-10-4-5-14-6-8-17-16(11-14)13-19(24-17)15-7-9-18(22-2)20(12-15)23-3/h6-9,11-13H,4-5,10H2,1-3H3
InChI Key:
CUEPJIGXQLIOIK-UHFFFAOYSA-N
SMILES:
COCCCc1ccc2c(c1)cc(o2)c1ccc(c(c1)OC)OC
UNII:
WN8TEM4Q1F
Properties
Computed Properties
 
Complexity:
375  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.152g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
326.392g/mol
Monoisotopic Mass:
326.152g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
40.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4  

Synonyms
 
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran 
SNU-0039 
EX-A1942 
HY-14503 
CS-0003407 
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl) benzofuran 
2-(3,4-dimethoxy-phenyl)-5-(3-methoxy-propyl)-benzofuran 
DWK-1339 
1018946-38-7 
2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)benzofuran 
UNII-WN8TEM4Q1F 
WN8TEM4Q1F 
Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)- 
SCHEMBL3002082 
CHEMBL4066961 
Literature

Title: Physiologically based pharmacokinetic modeling of SNU-0039, an anti-Alzheimer's agent, in rats.

Journal: Journal of pharmacokinetics and pharmacodynamics 20111001

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