octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate
TL;DR: octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate (CAS 343345-61-9) is a chemical compound with molecular formula C17H22FNO2 and molecular weight 291.16 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 4-fluorobenzoate
Also Known As: octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate, 2H-Quinolizine-1-methanol, octahydro-, 4-fluorobenzoate, (octahydro-1H-quinolizin-1-yl)methyl 4-fluorobenzoate, (6-azabicyclo[4.4.0]dec-2-yl)methyl 4-fluorobenzoate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-fluorobenzoate
| Molecular Formula | C17H22FNO2 |
|---|---|
| Molecular Weight | 291.16 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 291.16345 |
| Heavy Atoms | 21 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 343345-61-9 |
|---|---|
| SMILES | C1CCN2CCCC(C2C1)COC(=O)C3=CC=C(C=C3)F |
| InChIKey | KFAHOWZDCJPYIV-UHFFFAOYSA-N |
Product Overview
octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate (CAS 343345-61-9), with molecular formula C17H22FNO2 and molecular weight 291.16 g/mol. IUPAC: 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 4-fluorobenzoate.
Chemical Property Profile of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate
Property Insights of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate
The XLogP value of 3.6 indicates that octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate has 0 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-ylmethyl 4-fluorobenzoate?
The CAS number of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate is 343345-61-9.
What is the molecular formula of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate?
The molecular formula of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate is C17H22FNO2.
What is the molecular weight of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate?
The molecular weight of octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate is 291.16 g/mol.
Where can I buy octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate?
You can request a quote for octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate 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-ylmethyl 4-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for octahydro-2H-quinolizin-1-ylmethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.