G54N7D96CN
TL;DR: G54N7D96CN (CAS 561298-89-3) is a chemical compound with molecular formula C17H23Cl2N and molecular weight 311.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene;hydrochloride
Also Known As: 2-Butyl-3-(4-chlorophenyl)-1-azabicyclo(2.2.2)oct-2-ene hydrochloride, 1-Azabicyclo(2.2.2)oct-2-ene, 2-butyl-3-(4-chlorophenyl)-, hydrochloride, 1-Azabicyclo(2.2.2)oct-2-ene, 2-butyl-3-(4-chlorophenyl)-, hydrochloride (1:1), 2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene Hydrochloride
| Molecular Formula | C17H23Cl2N |
|---|---|
| Molecular Weight | 311.12 g/mol |
| LogP | 5.3887 |
| Topological Polar Surface Area | 3.24 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.12076 |
| Heavy Atoms | 20 |
| Complexity | 470.2683 |
Chemical Identifiers
| CAS Number | 561298-89-3 |
|---|---|
| SMILES | CCCCC1=C(C2CCN1CC2)C3=CC=C(C=C3)Cl.Cl |
Product Overview
G54N7D96CN (CAS 561298-89-3), with molecular formula C17H23Cl2N and molecular weight 311.12 g/mol. IUPAC: 2-butyl-3-(4-chlorophenyl)-1-azabicyclo[2.2.2]oct-2-ene;hydrochloride.
Chemical Property Profile of G54N7D96CN
Property Insights of G54N7D96CN
The XLogP value of 5.3887 indicates that G54N7D96CN is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.24 Ų, G54N7D96CN exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, G54N7D96CN has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of G54N7D96CN?
The CAS number of G54N7D96CN is 561298-89-3.
What is the molecular formula of G54N7D96CN?
The molecular formula of G54N7D96CN is C17H23Cl2N.
What is the molecular weight of G54N7D96CN?
The molecular weight of G54N7D96CN is 311.12 g/mol.
Where can I buy G54N7D96CN?
You can request a quote for G54N7D96CN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for G54N7D96CN?
Yes, KEHONG BIO provides custom synthesis services for G54N7D96CN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.