2-丁基-3-(4-甲苯基)奎宁环
TL;DR: 2-丁基-3-(4-甲苯基)奎宁环 (CAS 328047-51-4) is a chemical compound with molecular formula C18H27N and molecular weight 257.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-丁基-3-(4-甲苯基)奎宁环
(2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane
Also Known As: 2-Butyl-3-(p-tolyl)quinuclidine, 2-Butyl-3-(p-tolyl)quinuclidine, (-)-, 2-Butyl-3-(p-tolyl)quinuclidine, (+/-)-, J1.448.757C, (2R)-2alpha-Butyl-3alpha-(4-methylphenyl)quinuclidine
| Molecular Formula | C18H27N |
|---|---|
| Molecular Weight | 257.21 g/mol |
| LogP | 4.36302 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 257.21436 |
| Heavy Atoms | 19 |
| Complexity | 400.2034 |
Chemical Identifiers
| CAS Number | 328047-51-4 |
|---|---|
| SMILES | CCCC[C@@H]1[C@@H](C2CCN1CC2)C3=CC=C(C=C3)C |
Product Overview
2-丁基-3-(4-甲苯基)奎宁环 (CAS 328047-51-4), with molecular formula C18H27N and molecular weight 257.21 g/mol. IUPAC: (2R,3S)-2-butyl-3-(4-methylphenyl)-1-azabicyclo[2.2.2]octane.
Chemical Property Profile of 2-丁基-3-(4-甲苯基)奎宁环
Property Insights of 2-丁基-3-(4-甲苯基)奎宁环
The XLogP value of 4.36302 indicates that 2-丁基-3-(4-甲苯基)奎宁环 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, 2-丁基-3-(4-甲苯基)奎宁环 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-丁基-3-(4-甲苯基)奎宁环 has 0 hydrogen bond donor(s) and 1 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-丁基-3-(4-甲苯基)奎宁环?
The CAS number of 2-丁基-3-(4-甲苯基)奎宁环 is 328047-51-4.
What is the molecular formula of 2-丁基-3-(4-甲苯基)奎宁环?
The molecular formula of 2-丁基-3-(4-甲苯基)奎宁环 is C18H27N.
What is the molecular weight of 2-丁基-3-(4-甲苯基)奎宁环?
The molecular weight of 2-丁基-3-(4-甲苯基)奎宁环 is 257.21 g/mol.
Where can I buy 2-丁基-3-(4-甲苯基)奎宁环?
You can request a quote for 2-丁基-3-(4-甲苯基)奎宁环 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-丁基-3-(4-甲苯基)奎宁环?
Yes, KEHONG BIO provides custom synthesis services for 2-丁基-3-(4-甲苯基)奎宁环 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.