((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
TL;DR: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 1214634-05-5) is a chemical compound with molecular formula C21H24ClFN2O3 and molecular weight 406.15 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 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
Also Known As: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C21H24ClFN2O3 |
|---|---|
| Molecular Weight | 406.15 g/mol |
| LogP | 4.86382 |
| Topological Polar Surface Area | 55.57 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 406.14594 |
| Heavy Atoms | 28 |
| Complexity | 847.08075 |
Chemical Identifiers
| CAS Number | 1214634-05-5 |
|---|---|
| SMILES | CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OC[C@@H]3CCCN4[C@@H]3CCCC4 |
Product Overview
((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate (CAS 1214634-05-5), with molecular formula C21H24ClFN2O3 and molecular weight 406.15 g/mol. IUPAC: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
Property Insights of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate
The XLogP value of 4.86382 indicates that ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.57 Ų, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate 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-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The CAS number of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is 1214634-05-5.
What is the molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is C21H24ClFN2O3.
What is the molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
The molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate is 406.15 g/mol.
Where can I buy ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
You can request a quote for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate 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-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 3-(2-chloro-6-fluorophenyl)-5-methylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.