Basic information
- CAS
561002-04-8- Standard SMILES
CCOC(=O)C(=O)c1c(-c2ccccc2)nc2ccccn12- InChIKey
PUNQZWZQISOPOW-UHFFFAOYSA-N- Molecular formula
- C17H14N2O3
- Average molar mass
- 294.3 g/mol
- Monoisotopic mass
- 294.10044231
Names & identifiers
- Preferred name
- Ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
- IUPAC
- ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetate
- English name
- Ethyl 2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetate
- Molecular formula
- C17H14N2O3
- Molecular weight
- 294.3
Names & synonyms
561002-04-8ethyl 2-oxo-2-(2-phenylimidazo[1,2-a]pyridin-3-yl)acetateethyl 2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetateMFCD04613013ethyl oxo(2-phenylimidazo[1,2-a]pyridin-3-yl)acetateMLS001032962CHEMBL1445611DTXSID301331504HMS2689E22AKOS023166398SMR000363592SY533803
Show more names
Imidazo[1,2-a]pyridine-3-acetic acid, α-oxo-2-phenyl-, ethyl ester
CS-0347773EN300-29543G69085F741863SR-01000045369SR-01000045369-1Z56931852ethyl2-oxo-2-{2-phenylimidazo[1,2-a]pyridin-3-yl}acetate
Database identifiers
- CAS
561002-04-8- PubChem CID
- 5115064
- DTXSID
DTXSID301331504- ChEMBL
CHEMBL1445611- Nikkaji
- J2.838.749K
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 60.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 420
Experimental & physicochemical properties
Solubility33.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Density
- 1.24 · 1.24±0.1 g/cm3(Predicted)
- pka
- 2.4 · 2.40±0.50(Predicted)
Chemistry & industry
Suppliers5 total
上海华思格医药科技有限公司13611612777 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
安徽凯泽合联医药科技有限公司18130062233 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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