4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride
TL;DR: 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride (CAS 40528-22-1) is a chemical compound with molecular formula C17H21ClFNO and molecular weight 309.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride
Also Known As: 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride, 1-Butanone, 4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-, hydrochloride, 4-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride(1:1), 1-Butanone,4-(2-azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-,hydrochloride, 4-(5-azabicyclo[2.2.2]oct-2-en-5-yl)-1-(4-fluorophenyl)butan-1-one hydrochloride
| Molecular Formula | C17H21ClFNO |
|---|---|
| Molecular Weight | 309.13 g/mol |
| LogP | 3.8608 |
| Topological Polar Surface Area | 20.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.12958 |
| Heavy Atoms | 21 |
| Complexity | 373.0 |
Chemical Identifiers
| CAS Number | 40528-22-1 |
|---|---|
| SMILES | C1CC2C=CC1CN2CCCC(=O)C3=CC=C(C=C3)F.Cl |
| InChIKey | PKSWQZPTTHJUGR-UHFFFAOYSA-N |
Product Overview
4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride (CAS 40528-22-1), with molecular formula C17H21ClFNO and molecular weight 309.13 g/mol. IUPAC: 4-(2-azabicyclo[2.2.2]oct-5-en-2-yl)-1-(4-fluorophenyl)butan-1-one;hydrochloride.
Chemical Property Profile of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride
Property Insights of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride
The XLogP value of 3.8608 indicates that 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.3 Ų, 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride has 1 hydrogen bond donor(s) and 3 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 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride?
The CAS number of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride is 40528-22-1.
What is the molecular formula of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride?
The molecular formula of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride is C17H21ClFNO.
What is the molecular weight of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride?
The molecular weight of 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride is 309.13 g/mol.
Where can I buy 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride?
You can request a quote for 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Azabicyclo(2.2.2)oct-5-en-2-yl)-1-(4-fluorophenyl)-1-butanone hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.