S-((2-Cinnamoylamino)phenyl)thiolupine
TL;DR: S-((2-Cinnamoylamino)phenyl)thiolupine (CAS 156171-18-5) is a chemical compound with molecular formula C25H30N2OS and molecular weight 406.2079 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-N-[2-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methylsulfanyl]phenyl]-3-phenylprop-2-enamide
Also Known As: S-((2-Cinnamoylamino)phenyl)thiolupine, (1R-trans)-N-(2-((Octahydro-2H-quinolizin-1-yl)methyl)thio)-3-phenyl-2-propenamide, 2-Propenamide, N-(2-((octahydro-2H-quinolizin-1-yl)methyl)thio)-3-phenyl-, (1R-trans)-, N-[2-[[(1R,9abeta)-Octahydro-2H-quinolizin]-1alpha-ylmethylthio]phenyl]cinnamamide, (2E)-N-[2-({[(1R,9aR)-octahydro-1H-quinolizin-1-yl]methyl}sulfanyl)phenyl]-3-phenylprop-2-enamide
Technical Specifications
| Molecular Formula | C25H30N2OS |
| Molecular Weight | 406.2079 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 406.2079 Da |
| Heavy Atoms | 29 |
| Complexity | 545.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CSC3=CC=CC=C3NC(=O)/C=C/C4=CC=CC=C4 |
| InChIKey | NVSXZFKLUNAEBV-YKBCBSFJSA-N |
Chemical Property Profile of S-((2-Cinnamoylamino)phenyl)thiolupine
Property Insights of S-((2-Cinnamoylamino)phenyl)thiolupine
The XLogP value of 5.4 indicates that S-((2-Cinnamoylamino)phenyl)thiolupine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, S-((2-Cinnamoylamino)phenyl)thiolupine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-((2-Cinnamoylamino)phenyl)thiolupine has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of S-((2-Cinnamoylamino)phenyl)thiolupine?
The CAS number of S-((2-Cinnamoylamino)phenyl)thiolupine is 156171-18-5.
What is the molecular formula of S-((2-Cinnamoylamino)phenyl)thiolupine?
The molecular formula of S-((2-Cinnamoylamino)phenyl)thiolupine is C25H30N2OS.
What is the molecular weight of S-((2-Cinnamoylamino)phenyl)thiolupine?
The molecular weight of S-((2-Cinnamoylamino)phenyl)thiolupine is 406.2079 g/mol.
Where can I buy S-((2-Cinnamoylamino)phenyl)thiolupine?
You can request a quote for S-((2-Cinnamoylamino)phenyl)thiolupine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for S-((2-Cinnamoylamino)phenyl)thiolupine?
Yes, CoreyChem provides custom synthesis services for S-((2-Cinnamoylamino)phenyl)thiolupine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.