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Home > Other Building Blocks > 1018946-38-7
1018946-38-7 | Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-
CAS No: 1018946-38-7 Catalog No: AG0005U5 MDL No:
Product Description
Catalog Number:
AG0005U5
Chemical Name:
Benzofuran, 2-(3,4-dimethoxyphenyl)-5-(3-methoxypropyl)-
CAS Number:
1018946-38-7
Molecular Formula:
C20H22O4
Molecular Weight:
326.3863
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
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
Literature
| Title | Journal |
|---|---|
| Physiologically based pharmacokinetic modeling of SNU-0039, an anti-Alzheimer's agent, in rats. | Journal of pharmacokinetics and pharmacodynamics 20111001 |
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