2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine
TL;DR: 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine (CAS 449796-99-0) is a chemical compound with molecular formula C14H26Cl2N2 and molecular weight 292.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-chloro-N-(2-chloroethyl)ethanamine
Also Known As: 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine, 2-chloro-N-(2-chloroethyl)-N-[(1S,9aR)-octahydro-2H-quinolizin-1-ylmethyl]ethanamine, N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-2-chloro-N-(2-chloroethyl)ethanamine, N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-chloro-N-(2-chloroethyl)ethanamine
| Molecular Formula | C14H26Cl2N2 |
|---|---|
| Molecular Weight | 292.15 g/mol |
| LogP | 3.0305 |
| Topological Polar Surface Area | 6.48 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 292.1473 |
| Heavy Atoms | 18 |
| Complexity | 229.83388 |
Chemical Identifiers
| CAS Number | 449796-99-0 |
|---|---|
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)CN(CCCl)CCCl |
Product Overview
2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine (CAS 449796-99-0), with molecular formula C14H26Cl2N2 and molecular weight 292.15 g/mol. IUPAC: N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-2-chloro-N-(2-chloroethyl)ethanamine.
Chemical Property Profile of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine
Property Insights of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine
The XLogP value of 3.0305 indicates that 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.48 Ų, 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine has 0 hydrogen bond donor(s) and 2 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-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine?
The CAS number of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine is 449796-99-0.
What is the molecular formula of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine?
The molecular formula of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine is C14H26Cl2N2.
What is the molecular weight of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine?
The molecular weight of 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine is 292.15 g/mol.
Where can I buy 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine?
You can request a quote for 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine?
Yes, KEHONG BIO provides custom synthesis services for 2-chloro-N-(2-chloroethyl)-N-(((1S,9aR)-octahydro-1H-quinolizin-1-yl)methyl)ethanamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.