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Chemical structure of 7-ethoxy-4-Methylcoumarin

GC42605

7-ethoxy-4-Methylcoumarin

Also known as 7-ethoxy-4-methylchromen-2-one

7-ethoxy-4-Methylcoumarin is a fluorophore that has been used to monitor functional activity of cytochrome P450 (CYP)1A1, CYP2B4, and CYP2B6

ChemicalCAS87-05-8MW204.2FormulaC12H12O3
CAS number
87-05-8
Molecular weight
204.2
Formula
C12H12O3
Solubility
DMF: 30 mg/mL,DMF:PBS (pH 7·2) (1:8): 0·1 mg/mL,DMSO: 25 mg/mL,Ethanol: 10 mg/mL
InChIKey
NKRISXMDKXBVRJ-UHFFFAOYSA-N
Catalogue number
GC42605
Brand
GLPBIO
Computed properties PubChem CID 66595 · XLogP 2.6 · TPSA 35.5 Ų · H-bond donors 0
XLogP
2.6
TPSA
35.5 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15

SMILES CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C

Computed descriptors from PubChem (CID 66595), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Documents
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