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Chemical structure of 4,4'-Dimethoxybenzil

GC33328

4,4'-Dimethoxybenzil

Also listed as 4,4'-Dimethoxybenzil (p-Anisil)

4,4'-Dimethoxybenzil (p-Anisil) is a human intestinal carboxyl esterase (hiCE) inhibitor with Ki of 70 nM

ChemicalCAS1226-42-2MW270.28FormulaC16H14O4
CAS number
1226-42-2
Molecular weight
270.28
Formula
C16H14O4
Solubility
DMSO ： 50 mg/mL (184·99 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
YNANGXWUZWWFKX-UHFFFAOYSA-N
Catalogue number
GC33328
Brand
GLPBIO
Computed properties PubChem CID 71043 · XLogP 3.3 · TPSA 52.6 Ų · H-bond donors 0
XLogP
3.3
TPSA
52.6 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20

SMILES COC1=CC=C(C=C1)C(=O)C(=O)C2=CC=C(C=C2)OC

Computed descriptors from PubChem (CID 71043), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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