(Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate
TL;DR: (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate (CAS 5413-56-9) is a chemical compound with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate
Also Known As: Lupicaine, Lupinine p-aminobenzoate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate, Octahydro-2H-quinolizine-1-methanol p-aminobenzoate, 2H-Quinolizine-1-methanol, octahydro-, 4-aminobenzoate (ester)
| Molecular Formula | C17H24N2O2 |
|---|---|
| Molecular Weight | 288.18 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.18378 |
| Heavy Atoms | 21 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 5413-56-9 |
|---|---|
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC=C(C=C3)N |
| InChIKey | SOGHCSKBULRSRK-GOEBONIOSA-N |
Product Overview
(Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate (CAS 5413-56-9), with molecular formula C17H24N2O2 and molecular weight 288.18 g/mol. IUPAC: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-aminobenzoate.
Chemical Property Profile of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate
Property Insights of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate. With a topological polar surface area (TPSA) of 55.6 Ų, (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate has 1 hydrogen bond donor(s) and 4 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 (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate?
The CAS number of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate is 5413-56-9.
What is the molecular formula of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate?
The molecular formula of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate is C17H24N2O2.
What is the molecular weight of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate?
The molecular weight of (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate is 288.18 g/mol.
Where can I buy (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate?
You can request a quote for (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (Octahydro-2H-quinolizin-1-yl)methyl 4-aminobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.