200,000+ products from a single source!
sales@angenechem.com
117423-74-2 | Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]-
CAS No: 117423-74-2 Catalog No: AG000EA9 MDL No:
Product Description
Catalog Number:
AG000EA9
Chemical Name:
Benzenepropanoic acid, 5-(3-carboxybenzoyl)-2-[[(5E)-6-(4-methoxyphenyl)-5-hexen-1-yl]oxy]-
CAS Number:
117423-74-2
Molecular Formula:
C30H30O7
Molecular Weight:
502.5550
IUPAC Name:
3-[3-(2-carboxyethyl)-4-[(E)-6-(4-methoxyphenyl)hex-5-enoxy]benzoyl]benzoic acid
InChI:
InChI=1S/C30H30O7/c1-36-26-14-10-21(11-15-26)7-4-2-3-5-18-37-27-16-12-24(19-22(27)13-17-28(31)32)29(33)23-8-6-9-25(20-23)30(34)35/h4,6-12,14-16,19-20H,2-3,5,13,17-18H2,1H3,(H,31,32)(H,34,35)/b7-4+
InChI Key:
SYZSSLLFRVDRHL-QPJJXVBHSA-N
SMILES:
COc1ccc(cc1)/C=C/CCCCOc1ccc(cc1CCC(=O)O)C(=O)c1cccc(c1)C(=O)O
UNII:
XG52JC545T
Properties
Complexity:
755
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
502.199g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
502.563g/mol
Monoisotopic Mass:
502.199g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
Literature
| Title | Journal |
|---|---|
| Comparison of antagonist and agonist binding to the leukotriene B4 receptor intact human polymorphonuclear neutrophils (PMN). | The Journal of pharmacology and experimental therapeutics 19920701 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.