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97744-44-0,MFCD04040064
Catalog No.:AA00IJWC

97744-44-0 | Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥95%
in stock  
$63.00   $44.00
- +
5mg
≥95%
in stock  
$246.00   $172.00
- +
10mg
≥95%
in stock  
$459.00   $321.00
- +
25mg
98%
in stock  
$754.00   $528.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IJWC
Chemical Name:
Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate
CAS Number:
97744-44-0
Molecular Formula:
C34H24O5
Molecular Weight:
512.5514
MDL Number:
MFCD04040064
SMILES:
O=c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)OCc2ccccc2)ccc(c1)OCc1ccccc1
NSC Number:
645658
Properties
Computed Properties
 
Complexity:
980  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
39  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6.1  

Literature

Title: Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system.

Journal: Toxicology in vitro : an international journal published in association with BIBRA 20130901

Title: Altered human CYP3A4 activity caused by Antley-Bixler syndrome-related variants of NADPH-cytochrome P450 oxidoreductase measured in a robust in vitro system.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20120401

Title: Integrated biomarker responses as environmental status descriptors of a coastal zone (São Paulo, Brazil).

Journal: Ecotoxicology and environmental safety 20110701

Title: Simple, direct, and informative method for the assessment of CYP2C19 enzyme inactivation kinetics.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20110301

Title: Molecular basis for the interaction of four different classes of substrates and inhibitors with human aromatase.

Journal: Biochemical pharmacology 20080301

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SDS
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Tags:97744-44-0 Molecular Formula|97744-44-0 MDL|97744-44-0 SMILES|97744-44-0 Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate
Catalog No.: AA00IJWC
97744-44-0,MFCD04040064
97744-44-0 | Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate
Pack Size： 1mg
Purity： ≥95%
in stock
$63.00 $44.00
Pack Size： 5mg
Purity： ≥95%
in stock
$246.00 $172.00
Pack Size： 10mg
Purity： ≥95%
in stock
$459.00 $321.00
Pack Size： 25mg
Purity： 98%
in stock
$754.00 $528.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00IJWC
Chemical Name: Benzyl 2-(6-(benzyloxy)-3-oxo-3h-xanthen-9-yl)benzoate
CAS Number: 97744-44-0
Molecular Formula: C34H24O5
Molecular Weight: 512.5514
MDL Number: MFCD04040064
SMILES: O=c1ccc2c(c1)oc1c(c2c2ccccc2C(=O)OCc2ccccc2)ccc(c1)OCc1ccccc1
NSC Number: 645658
Properties
Complexity: 980  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 39  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6.1  
Literature fold

Title: Interactions of sesquiterpenes zederone and germacrone with the human cytochrome P450 system.

Journal: Toxicology in vitro : an international journal published in association with BIBRA20130901

Title: Altered human CYP3A4 activity caused by Antley-Bixler syndrome-related variants of NADPH-cytochrome P450 oxidoreductase measured in a robust in vitro system.

Journal: Drug metabolism and disposition: the biological fate of chemicals20120401

Title: Integrated biomarker responses as environmental status descriptors of a coastal zone (São Paulo, Brazil).

Journal: Ecotoxicology and environmental safety20110701

Title: Simple, direct, and informative method for the assessment of CYP2C19 enzyme inactivation kinetics.

Journal: Drug metabolism and disposition: the biological fate of chemicals20110301

Title: Molecular basis for the interaction of four different classes of substrates and inhibitors with human aromatase.

Journal: Biochemical pharmacology20080301

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