2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide
TL;DR: 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide (CAS 956978-70-4) is a chemical compound with molecular formula C19H24Cl3N3O4 and molecular weight 463.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2,2,2-trichloroethyl]-2-nitrobenzamide
Also Known As: 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide, 2-nitro-N-{2,2,2-trichloro-1-[(1R,9aR)-octahydro-2H-quinolizin-1-ylmethoxy]ethyl}benzamide, N-[1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2,2,2-trichloroethyl]-2-nitrobenzamide
| Molecular Formula | C19H24Cl3N3O4 |
|---|---|
| Molecular Weight | 463.08 g/mol |
| LogP | 4.302 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.08325 |
| Heavy Atoms | 29 |
| Complexity | 741.6547 |
Chemical Identifiers
| CAS Number | 956978-70-4 |
|---|---|
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)COC(C(Cl)(Cl)Cl)NC(=O)C3=CC=CC=C3[N+](=O)[O-] |
Product Overview
2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide (CAS 956978-70-4), with molecular formula C19H24Cl3N3O4 and molecular weight 463.08 g/mol. IUPAC: N-[1-[[(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methoxy]-2,2,2-trichloroethyl]-2-nitrobenzamide.
Chemical Property Profile of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide
Property Insights of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide
The XLogP value of 4.302 indicates that 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide. Following Lipinski's Rule of Five, 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide has 1 hydrogen bond donor(s) and 5 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-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide?
The CAS number of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide is 956978-70-4.
What is the molecular formula of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide?
The molecular formula of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide is C19H24Cl3N3O4.
What is the molecular weight of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide?
The molecular weight of 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide is 463.08 g/mol.
Where can I buy 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide?
You can request a quote for 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 2-nitro-N-(2,2,2-trichloro-1-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methoxy)ethyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.