Home Other Building Blocks 7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN

7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN

CAS No.:
575-04-2
Catalog Number:
AG00ECX6
Molecular Formula:
C11H7F3O3
Molecular Weight:
244.1667
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Product Description
Catalog Number:
AG00ECX6
Chemical Name:
7-METHOXY-4-(TRIFLUOROMETHYL)COUMARIN
CAS Number:
575-04-2
Molecular Formula:
C11H7F3O3
Molecular Weight:
244.1667
MDL Number:
MFCD00132980
IUPAC Name:
7-methoxy-4-(trifluoromethyl)chromen-2-one
InChI:
InChI=1S/C11H7F3O3/c1-16-6-2-3-7-8(11(12,13)14)5-10(15)17-9(7)4-6/h2-5H,1H3
InChI Key:
HAZHUELNIGDYQH-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)oc(=O)cc2C(F)(F)F
Properties
Complexity:
348  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.035g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.169g/mol
Monoisotopic Mass:
244.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Cytochrome P450-mediated hepatic metabolism of new fluorescent substrates in cats and dogs. Journal of veterinary pharmacology and therapeutics 20101201
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Functional differences in the cytochrome P450 1 family enzymes from zebrafish (Danio rerio) using heterologously expressed proteins. Archives of biochemistry and biophysics 20101001
Effects of cytochrome P450 inhibitors on the biotransformation of fluorogenic substrates by adult male rat liver microsomes and cDNA-expressed rat cytochrome P450 isoforms. Toxicological sciences : an official journal of the Society of Toxicology 20100201
Defining the in Vivo Role for cytochrome b5 in cytochrome P450 function through the conditional hepatic deletion of microsomal cytochrome b5. The Journal of biological chemistry 20081114
Identification and analysis of conserved sequence motifs in cytochrome P450 family 2. Functional and structural role of a motif 187RFDYKD192 in CYP2B enzymes. The Journal of biological chemistry 20080801
Limited applicability of 7-methoxy-4-trifluoromethylcoumarin as a CYP2C9-selective substrate. Pharmacological reports : PR 20080101
Generation and evaluation of a CYP2C9 heteroactivation pharmacophore. The Journal of pharmacology and experimental therapeutics 20031201
Cytochrome P450 fluorometric substrates: identification of isoform-selective probes for rat CYP2D2 and human CYP3A4. Drug metabolism and disposition: the biological fate of chemicals 20020701
Properties