1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide
TL;DR: 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide (CAS 17943-45-2) is a chemical compound with molecular formula C17H32BrNO2 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] heptanoate bromide
Also Known As: trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide heptanoate, 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide, 2H-Quinolizinium, octahydro-1-hydroxy-5-methyl-, bromide, heptanoate, (E)-, (1R,9aR)-1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide, [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] heptanoate bromide
| Molecular Formula | C17H32BrNO2 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 0.6655 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 361.16165 |
| Heavy Atoms | 21 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 17943-45-2 |
|---|---|
| SMILES | CCCCCCC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C.[Br-] |
| InChIKey | FQQLJKFLDZADNO-DKHGOEQKSA-M |
Product Overview
1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide (CAS 17943-45-2), with molecular formula C17H32BrNO2 and molecular weight 361.16 g/mol. IUPAC: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] heptanoate bromide.
Chemical Property Profile of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide
Property Insights of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide
The XLogP value of 0.6655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide. With a topological polar surface area (TPSA) of 26.3 Ų, 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide 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
Frequently Asked Questions
What is the CAS number of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide?
The CAS number of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide is 17943-45-2.
What is the molecular formula of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide?
The molecular formula of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide is C17H32BrNO2.
What is the molecular weight of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide?
The molecular weight of 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide is 361.16 g/mol.
Where can I buy 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide?
You can request a quote for 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide?
Yes, KEHONG BIO provides custom synthesis services for 1-(Heptanoyloxy)-5-methyloctahydro-2H-quinolizin-5-ium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.