trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)
TL;DR: trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) (CAS 17934-72-4) is a chemical compound with molecular formula C13H24BrNO2 and molecular weight 305.10 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] propanoate bromide
Also Known As: trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester), 2H-Quinolizinium, octahydro-1-hydroxy-5-methyl-, bromide, propionate (ester), (E)-, 5-Methyl-1-(propanoyloxy)octahydro-2H-quinolizin-5-ium bromide, (1R,9aR)-5-Methyl-1-(propanoyloxy)octahydro-2H-quinolizin-5-ium bromide, [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] propanoate bromide
| Molecular Formula | C13H24BrNO2 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | -0.8949 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 305.09903 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 17934-72-4 |
|---|---|
| SMILES | CCC(=O)O[C@@H]1CCC[N+]2([C@@H]1CCCC2)C.[Br-] |
| InChIKey | ZMVBSRDKDHEDBX-NKXVLAAZSA-M |
Product Overview
trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) (CAS 17934-72-4), with molecular formula C13H24BrNO2 and molecular weight 305.10 g/mol. IUPAC: [(1R,9aR)-5-methyl-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-5-ium-1-yl] propanoate bromide.
Chemical Property Profile of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)
Property Insights of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)
The XLogP value of -0.8949 indicates that trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 26.3 Ų, trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) 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 trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)?
The CAS number of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) is 17934-72-4.
What is the molecular formula of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)?
The molecular formula of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) is C13H24BrNO2.
What is the molecular weight of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)?
The molecular weight of trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) is 305.10 g/mol.
Where can I buy trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)?
You can request a quote for trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester)?
Yes, KEHONG BIO provides custom synthesis services for trans-1-Hydroxy-5-methyloctahydro-2H-quinolizinium bromide propionate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.