sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Cay10650

Cay10650

CAS No.:
1233706-88-1
Catalog Number:
AG009BNA
Molecular Formula:
C28H25NO6
Molecular Weight:
471.5012
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$129
- +
5mg
98%
1 week
United States
$340
- +
10mg
98%
1 week
United States
$557
- +
50mg
98%
1 week
United States
$2057
- +
Product Description
Catalog Number:
AG009BNA
Chemical Name:
Cay10650
CAS Number:
1233706-88-1
Molecular Formula:
C28H25NO6
Molecular Weight:
471.5012
MDL Number:
MFCD18206878
IUPAC Name:
3-(2-methylpropanoyl)-1-[2-oxo-3-(4-phenoxyphenoxy)propyl]indole-5-carboxylic acid
InChI:
InChI=1S/C28H25NO6/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/h3-14,16,18H,15,17H2,1-2H3,(H,32,33)
InChI Key:
HTOJZPHWNDZOPQ-UHFFFAOYSA-N
SMILES:
O=C(Cn1cc(c2c1ccc(c2)C(=O)O)C(=O)C(C)C)COc1ccc(cc1)Oc1ccccc1
Properties
Complexity:
740  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
471.168g/mol
Formal Charge:
0
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
471.509g/mol
Monoisotopic Mass:
471.168g/mol
Rotatable Bond Count:
10  
Topological Polar Surface Area:
94.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3  
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
Properties