Basic information
- CAS
296266-88-1- Standard SMILES
COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(C)o1- InChIKey
QFBBWNBTECTMDL-UHFFFAOYSA-N- Molecular formula
- C16H19NO5
- Average molar mass
- 305.32 g/mol
- Monoisotopic mass
- 305.12632271
Names & identifiers
- Preferred name
- Dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylate
- IUPAC
- dimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- 2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester
- Molecular formula
- C16H19NO5
- Molecular weight
- 305.33
Names & synonyms
296266-88-1dimethyl 2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylatedimethyl 2,6-dimethyl-4-(5-methylfuran-2-yl)-1,4-dihydropyridine-3,5-dicarboxylateMFCD004056103,5-DIMETHYL 2,6-DIMETHYL-4-(5-METHYLFURAN-2-YL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE3,5-pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-furanyl)-, dimethyl esterCBMicro_020811Oprea1_267958Oprea1_766701MLS001044314CHEMBL610466CHEMBL1480279
Show more names
pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(5-2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acidDIMETHYL 2,6-DIMETHYL-4-(5-METHYL-2-FURYL)-1,4-DIHYDRO-3,5-PYRIDINEDICARBOXYLATE2,6-dimethyl-4-(5-methyl-2-furyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester2,6-Dimethyl-4-(5-methyl-furan-2-yl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid dimethyl ester3,5-Pyridinedicarboxylic acid,1,4-dihydro-2,6-dimethyl-4-(5-methyl-2-furanyl)-, dimethyl ester
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 511
Experimental & physicochemical properties
Solubility13 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 180 · 180-181 °C
- Boiling point
- 415.3 · 415.3±45.0 °C(Predicted)
- Density
- 1.176 · 1.176±0.06 g/cm3(Predicted)
- pka
- 2.81 · 2.81±0.70(Predicted)
Chemistry & industry
Suppliers1 total
天津荣燊化工有限公司18317763565; 18317763565 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…