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853651-44-2 | 1H-Indole-1-acetic acid, 4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]-
CAS No: 853651-44-2 Catalog No: AG004U24 MDL No:
Product Description
Catalog Number:
AG004U24
Chemical Name:
1H-Indole-1-acetic acid, 4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]-
CAS Number:
853651-44-2
Molecular Formula:
C26H22FNO5
Molecular Weight:
447.4550
IUPAC Name:
2-[4-[3-[4-(4-fluorobenzoyl)phenoxy]propoxy]indol-1-yl]acetic acid
InChI:
InChI=1S/C26H22FNO5/c27-20-9-5-18(6-10-20)26(31)19-7-11-21(12-8-19)32-15-2-16-33-24-4-1-3-23-22(24)13-14-28(23)17-25(29)30/h1,3-14H,2,15-17H2,(H,29,30)
InChI Key:
OSODZFHPHPHFGP-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1ccc2c1cccc2OCCCOc1ccc(cc1)C(=O)c1ccc(cc1)F
Properties
Complexity:
645
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
447.148g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
447.462g/mol
Monoisotopic Mass:
447.148g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
Literature
| Title | Journal |
|---|---|
| Indol-1-yl acetic acids as peroxisome proliferator-activated receptor agonists: design, synthesis, structural biology, and molecular docking studies. | Journal of medicinal chemistry 20060209 |
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