(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate
TL;DR: (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate (CAS 154170-18-0) is a chemical compound with molecular formula C17H22N2O4 and molecular weight 318.16 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-nitrobenzoate
Also Known As: BAS 00227412, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-nitrobenzoate, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-nitrobenzoate
| Molecular Formula | C17H22N2O4 |
|---|---|
| Molecular Weight | 318.16 g/mol |
| LogP | 3.0161 |
| Topological Polar Surface Area | 72.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.15796 |
| Heavy Atoms | 23 |
| Complexity | 570.461 |
Chemical Identifiers
| CAS Number | 154170-18-0 |
|---|---|
| SMILES | C1CCN2CCC[C@H]([C@H]2C1)COC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate (CAS 154170-18-0), with molecular formula C17H22N2O4 and molecular weight 318.16 g/mol. IUPAC: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-nitrobenzoate.
Chemical Property Profile of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate
Property Insights of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate
The XLogP value of 3.0161 indicates that (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.68 Ų falls within the moderate polarity range, balancing permeability and solubility for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate. Following Lipinski's Rule of Five, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate has 0 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 (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate?
The CAS number of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate is 154170-18-0.
What is the molecular formula of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate?
The molecular formula of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate is C17H22N2O4.
What is the molecular weight of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate?
The molecular weight of (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate is 318.16 g/mol.
Where can I buy (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate?
You can request a quote for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate?
Yes, KEHONG BIO provides custom synthesis services for (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-nitrobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.