200,000+ products from a single source!
sales@angenechem.com
577-91-3 | Pheniodol
CAS No: 577-91-3 Catalog No: AG00EIP5 MDL No:MFCD00021711
Product Description
Catalog Number:
AG00EIP5
Chemical Name:
Pheniodol
CAS Number:
577-91-3
Molecular Formula:
C15H12I2O3
Molecular Weight:
494.0629
MDL Number:
MFCD00021711
IUPAC Name:
3-(4-hydroxy-3,5-diiodophenyl)-2-phenylpropanoic acid
InChI:
InChI=1S/C15H12I2O3/c16-12-7-9(8-13(17)14(12)18)6-11(15(19)20)10-4-2-1-3-5-10/h1-5,7-8,11,18H,6H2,(H,19,20)
InChI Key:
IKYIXZSIKOYSLD-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)Cc1cc(I)c(c(c1)I)O
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
493.888g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
494.067g/mol
Monoisotopic Mass:
493.888g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
Literature
| Title | Journal |
|---|---|
| Non-peptidic small-molecule inhibitors of the single-chain hepatitis C virus NS3 protease/NS4A cofactor complex discovered by structure-based NMR screening. | Journal of medicinal chemistry 20040506 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.