200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 197915-32-5
197915-32-5 | 2H-Pyran-2-one, 3-[[2-(1,1-dimethylethyl)-5-methylphenyl]thio]-5,6-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-6-(2-phenylethyl)-
CAS No: 197915-32-5 Catalog No: AG002B64 MDL No:
Product Description
Catalog Number:
AG002B64
Chemical Name:
2H-Pyran-2-one, 3-[[2-(1,1-dimethylethyl)-5-methylphenyl]thio]-5,6-dihydro-4-hydroxy-6-(4-hydroxyphenyl)-6-(2-phenylethyl)-
CAS Number:
197915-32-5
Molecular Formula:
C30H32O4S
Molecular Weight:
488.6377
IUPAC Name:
5-(2-tert-butyl-5-methylphenyl)sulfanyl-4-hydroxy-2-(4-hydroxyphenyl)-2-(2-phenylethyl)-3H-pyran-6-one
InChI:
InChI=1S/C30H32O4S/c1-20-10-15-24(29(2,3)4)26(18-20)35-27-25(32)19-30(34-28(27)33,22-11-13-23(31)14-12-22)17-16-21-8-6-5-7-9-21/h5-15,18,31-32H,16-17,19H2,1-4H3
InChI Key:
GBBFJCPSWJDLKK-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)C1(CCc2ccccc2)CC(=C(C(=O)O1)Sc1cc(C)ccc1C(C)(C)C)O
Properties
Complexity:
757
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.202g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.642g/mol
Monoisotopic Mass:
488.202g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
Literature
| Title | Journal |
|---|---|
| Synthesis of 5,6-dihydro-4-hydroxy-2-pyrones as HIV-1 protease inhibitors: the profound effect of polarity on antiviral activity. | Journal of medicinal chemistry 19971107 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.