2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate
TL;DR: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate (CAS 307497-38-7) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate
Also Known As: Acetyl-epilupinine, Epilupinine acetate, 1-acetoxymethyl-octahydro-quinolizine, Octahydro-2H-quinolizine-1-methanol acetate, (octahydro-1H-quinolizin-1-yl)methyl acetate
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 1.814 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 227.662 |
Chemical Identifiers
| CAS Number | 307497-38-7 |
|---|---|
| SMILES | CC(=O)OCC1CCCN2C1CCCC2 |
Product Overview
2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate (CAS 307497-38-7), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate.
Chemical Property Profile of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate
Property Insights of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate
The XLogP value of 1.814 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate. With a topological polar surface area (TPSA) of 29.54 Ų, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate 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 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate?
The CAS number of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate is 307497-38-7.
What is the molecular formula of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate?
The molecular formula of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate is C12H21NO2.
What is the molecular weight of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate?
The molecular weight of 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate is 211.16 g/mol.
Where can I buy 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate?
You can request a quote for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.