200,000+ products from a single source!
sales@angenechem.com
Home > Carboxes > 1233706-89-2
1233706-89-2 | 1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)indole-5-carboxylic acid
CAS No: 1233706-89-2 Catalog No: AG01FG9L MDL No:
Product Description
Catalog Number:
AG01FG9L
Chemical Name:
1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)indole-5-carboxylic acid
CAS Number:
1233706-89-2
Molecular Formula:
C28H27NO6
Molecular Weight:
473.5171
IUPAC Name:
1-[2-hydroxy-3-(4-phenoxyphenoxy)propyl]-3-(2-methylpropanoyl)indole-5-carboxylic acid
InChI:
InChI=1S/C28H27NO6/c1-18(2)27(31)25-16-29(26-13-8-19(28(32)33)14-24(25)26)15-20(30)17-34-21-9-11-23(12-10-21)35-22-6-4-3-5-7-22/h3-14,16,18,20,30H,15,17H2,1-2H3,(H,32,33)
InChI Key:
BOEJDYFVYZETDG-UHFFFAOYSA-N
SMILES:
OC(Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)C(C)C)COc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
700
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
473.184g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
473.525g/mol
Monoisotopic Mass:
473.184g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
98A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
Literature
| Title | Journal |
|---|---|
| 1-(5-carboxyindol-1-yl)propan-2-one inhibitors of human cytosolic phospholipase A(2)alpha with reduced lipophilicity: synthesis, biological activity, metabolic stability, solubility, bioavailability, and topical in vivo activity. | Journal of medicinal chemistry 20100722 |
Related Products
© 2019 Angene International Limited. All rights Reserved.