(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate
TL;DR: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate (CAS 1212462-50-4) is a chemical compound with molecular formula C13H22BrNO2 and molecular weight 303.0834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-bromopropanoate
Also Known As: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-bromopropanoate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-bromopropanoate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-bromopropanoate
Technical Specifications
| Molecular Formula | C13H22BrNO2 |
| Molecular Weight | 303.0834 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.0834 Da |
| Heavy Atoms | 17 |
| Complexity | 260.0 |
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)COC(=O)CCBr |
| InChIKey | FKJQCTBFDDVHFK-NWDGAFQWSA-N |
Chemical Property Profile of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate
Property Insights of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate. With a topological polar surface area (TPSA) of 29.5 Ų, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate?
The CAS number of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate is 1212462-50-4.
What is the molecular formula of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate?
The molecular formula of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate is C13H22BrNO2.
What is the molecular weight of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate?
The molecular weight of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate is 303.0834 g/mol.
Where can I buy (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate?
You can request a quote for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate?
Yes, CoreyChem provides custom synthesis services for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-bromopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.