AC1LY00Q
7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene
Also Known As: 4-butyl-7-(cinnamylthio)-2,3-dihydro-1H-cyclopenta[4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidine
CAS: 799809-33-9
| Molecular Formula | C25H25N3S2 |
|---|---|
| Molecular Weight | 431.149 g/mol |
| LogP | 6.8763 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 431.149 |
| Monoisotopic Mass | 431.149 |
| Heavy Atoms | 30 |
| Complexity | 1211.7546 |
Chemical Identifiers
| CAS Number | 799809-33-9 |
|---|---|
| SMILES | CCCCC1=NC2=C(C3=C1CCC3)C4=C(S2)C(=NC=N4)SC/C=C/C5=CC=CC=C5 |
Product Overview
AC1LY00Q (CAS 799809-33-9), with molecular formula C25H25N3S2 and molecular weight 431.149 g/mol. IUPAC: 7-butyl-12-[(E)-3-phenylprop-2-enyl]sulfanyl-10-thia-8,13,15-triazatetracyclo[7.7.0.02,6.011,16]hexadeca-1(9),2(6),7,11(16),12,14-hexaene.
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 →
AC1LY00Q is a custom synthesis product. We offer services from milligram to kilogram scale.
Request a Quote »