((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate
TL;DR: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate (CAS 1212401-77-8) is a chemical compound with molecular formula C30H49NO3 and molecular weight 471.37 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-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate
Also Known As: ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate, (1R,9aR)-octahydro-2H-quinolizin-1-ylmethyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate, [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate
| Molecular Formula | C30H49NO3 |
|---|---|
| Molecular Weight | 471.37 g/mol |
| LogP | 7.0285 |
| Topological Polar Surface Area | 38.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 471.37125 |
| Heavy Atoms | 34 |
| Complexity | 798.24023 |
Chemical Identifiers
| CAS Number | 1212401-77-8 |
|---|---|
| SMILES | CCC(C)(C)C1=CC(=C(C=C1)OCCCC(=O)OC[C@@H]2CCCN3[C@@H]2CCCC3)C(C)(C)CC |
Product Overview
((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate (CAS 1212401-77-8), with molecular formula C30H49NO3 and molecular weight 471.37 g/mol. IUPAC: [(1R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl 4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoate.
Chemical Property Profile of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate
Property Insights of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate
The XLogP value of 7.0285 indicates that ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.77 Ų, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate?
The CAS number of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate is 1212401-77-8.
What is the molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate?
The molecular formula of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate is C30H49NO3.
What is the molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate?
The molecular weight of ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate is 471.37 g/mol.
Where can I buy ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate?
You can request a quote for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate 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 4-(2,4-di-tert-pentylphenoxy)butanoate?
Yes, KEHONG BIO provides custom synthesis services for ((1R,9aR)-octahydro-1H-quinolizin-1-yl)methyl 4-(2,4-di-tert-pentylphenoxy)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.