Home Other Building Blocks 2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-

2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-

CAS No.:
17834-02-5
Catalog Number:
AG0025Z1
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$157
- +
5mg
≥98%
1 week
United States
$426
- +
10mg
≥98%
1 week
United States
$690
- +
Product Description
Catalog Number:
AG0025Z1
Chemical Name:
2H-1-Benzopyran-2-one, 4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)-
CAS Number:
17834-02-5
Molecular Formula:
C19H16O5
Molecular Weight:
324.3273
MDL Number:
MFCD00272665
IUPAC Name:
4,6-dihydroxy-3-(3-oxo-1-phenylbutyl)chromen-2-one
InChI:
InChI=1S/C19H16O5/c1-11(20)9-14(12-5-3-2-4-6-12)17-18(22)15-10-13(21)7-8-16(15)24-19(17)23/h2-8,10,14,21-22H,9H2,1H3
InChI Key:
IQWPEJBUOJQPDE-UHFFFAOYSA-N
SMILES:
CC(=O)CC(c1c(=O)oc2c(c1O)cc(cc2)O)c1ccccc1
Properties
Complexity:
532  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.1g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
324.332g/mol
Monoisotopic Mass:
324.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
Warfarin is an effective modifier of multiple UDP-glucuronosyltransferase enzymes: evaluation of its potential to alter the pharmacokinetics of zidovudine. Journal of pharmaceutical sciences 20150101
The population pharmacokinetics of R- and S-warfarin: effect of genetic and clinical factors. British journal of clinical pharmacology 20120101
Analysis of R- and S-hydroxywarfarin glucuronidation catalyzed by human liver microsomes and recombinant UDP-glucuronosyltransferases. The Journal of pharmacology and experimental therapeutics 20120101
Hydroxywarfarin metabolites potently inhibit CYP2C9 metabolism of S-warfarin. Chemical research in toxicology 20100517
Assessing cytochrome P450 and UDP-glucuronosyltransferase contributions to warfarin metabolism in humans. Chemical research in toxicology 20090701
Identification of hydroxywarfarin binding site in human UDP glucuronosyltransferase 1a10: phenylalanine90 is crucial for the glucuronidation of 6- and 7-hydroxywarfarin but not 8-hydroxywarfarin. Drug metabolism and disposition: the biological fate of chemicals 20081101
Synthesis and structure-activity relationships of novel warfarin derivatives. Bioorganic & medicinal chemistry 20070315
Determination of warfarin enantiomers and hydroxylated metabolites in human blood plasma by liquid chromatography with achiral and chiral separation. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20050425
Properties