((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate
TL;DR: ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate (CAS 447457-99-0) is a chemical compound with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-chlorobenzoate
Also Known As: (1S,9aS)-octahydro-2H-quinolizin-1-ylmethyl 3-chlorobenzoate, ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate, 2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl 3-chlorobenzoate
| Molecular Formula | C17H22ClNO2 |
|---|---|
| Molecular Weight | 307.13 g/mol |
| LogP | 3.7613 |
| Topological Polar Surface Area | 29.54 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 307.1339 |
| Heavy Atoms | 21 |
| Complexity | 503.3184 |
Chemical Identifiers
| CAS Number | 447457-99-0 |
|---|---|
| SMILES | C1CCN2CCC[C@@H]([C@@H]2C1)COC(=O)C3=CC(=CC=C3)Cl |
Product Overview
((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate (CAS 447457-99-0), with molecular formula C17H22ClNO2 and molecular weight 307.13 g/mol. IUPAC: [(1S,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-chlorobenzoate.
Chemical Property Profile of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate
Property Insights of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate
The XLogP value of 3.7613 indicates that ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.54 Ų, ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate 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 ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate?
The CAS number of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate is 447457-99-0.
What is the molecular formula of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate?
The molecular formula of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate is C17H22ClNO2.
What is the molecular weight of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate?
The molecular weight of ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate is 307.13 g/mol.
Where can I buy ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate?
You can request a quote for ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for ((1S,9aS)-octahydro-1H-quinolizin-1-yl)methyl 3-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.