AC1O2T3T
ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate
Also Known As: Ethyl 4-[2-cyano-2-(octylcarbamoyl)ethenyl]-2,5-dimethyl-1-phenyl-pyrrole-3-carboxylate|ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate|ethyl 4-[2-cyano-2-(octylcarbamoyl)eth-1-en-1-yl]-2,5-dimethyl-1-phenyl-1H-pyrrole-3-carboxylate
CAS: 722484-06-2
| Molecular Formula | C27H35N3O3 |
|---|---|
| Molecular Weight | 449.26785 g/mol |
| LogP | 5.65452 |
| Topological Polar Surface Area | 84.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 449.26785 |
| Monoisotopic Mass | 449.26785 |
| Heavy Atoms | 33 |
| Complexity | 1013.46796 |
Chemical Identifiers
| CAS Number | 722484-06-2 |
|---|---|
| SMILES | CCCCCCCCNC(=O)/C(=C/C1=C(N(C(=C1C(=O)OCC)C)C2=CC=CC=C2)C)/C#N |
Product Overview
AC1O2T3T (CAS 722484-06-2), with molecular formula C27H35N3O3 and molecular weight 449.26785 g/mol. IUPAC: ethyl 4-[(E)-2-cyano-3-(octylamino)-3-oxoprop-1-enyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxylate.
Safety Data Sheet (MSDS / SDS)
View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
View MSDS →
AC1O2T3T is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »