ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate
TL;DR: ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate (CAS 1212446-69-9) is a chemical compound with molecular formula C14H23NO4 and molecular weight 269.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-O-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl] 1-O-ethyl oxalate
Also Known As: ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate, ethyl (((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl) oxalate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl Ethyl Oxalate, 2-O-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl] 1-O-ethyl oxalate
| Molecular Formula | C14H23NO4 |
|---|---|
| Molecular Weight | 269.16 g/mol |
| LogP | 1.3572 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.16272 |
| Heavy Atoms | 19 |
| Complexity | 329.40765 |
Chemical Identifiers
| CAS Number | 1212446-69-9 |
|---|---|
| SMILES | CCOC(=O)C(=O)OC[C@@H]1CCCN2[C@@H]1CCCC2 |
Product Overview
ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate (CAS 1212446-69-9), with molecular formula C14H23NO4 and molecular weight 269.16 g/mol. IUPAC: 2-O-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl] 1-O-ethyl oxalate.
Chemical Property Profile of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate
Property Insights of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate
The XLogP value of 1.3572 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate. With a topological polar surface area (TPSA) of 55.84 Ų, ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate has 0 hydrogen bond donor(s) and 5 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 ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate?
The CAS number of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate is 1212446-69-9.
What is the molecular formula of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate?
The molecular formula of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate is C14H23NO4.
What is the molecular weight of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate?
The molecular weight of ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate is 269.16 g/mol.
Where can I buy ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate?
You can request a quote for ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl ethanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.