Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride
TL;DR: Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride (CAS 15997-77-0) is a chemical compound with molecular formula C18H25ClFNO and molecular weight 325.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-azoniabicyclo[3.2.2]nonan-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Also Known As: 4-(3-Azabicyclo(3.2.2)nonyl)-4-fluorobutyrophenone hydrochloride, BUTYROPHENONE, 4-(3-AZABICYCLO(3.2.2)NONYL)-4'-FLUORO-, HYDROCHLORIDE, 4-(3-Azoniabicyclo[3.2.2]nonan-1-yl)-1-(4-fluorophenyl)butan-1-onechloride, 4-(3-azoniabicyclo[3.2.2]nonan-5-yl)-1-(4-fluorophenyl)butan-1-one chloride, RefChem:331449
| Molecular Formula | C18H25ClFNO |
|---|---|
| Molecular Weight | 325.16 g/mol |
| LogP | -0.06 |
| Topological Polar Surface Area | 33.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.16086 |
| Heavy Atoms | 22 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 15997-77-0 |
|---|---|
| SMILES | C1CC2(CCC1C[NH2+]C2)CCCC(=O)C3=CC=C(C=C3)F.[Cl-] |
| InChIKey | NIZCYKDQUMEZSP-UHFFFAOYSA-N |
Product Overview
Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride (CAS 15997-77-0), with molecular formula C18H25ClFNO and molecular weight 325.16 g/mol. IUPAC: 4-(3-azoniabicyclo[3.2.2]nonan-1-yl)-1-(4-fluorophenyl)butan-1-one chloride.
Chemical Property Profile of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride
Property Insights of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride
The XLogP value of -0.06 indicates that Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 33.7 Ų, Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, 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 Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride?
The CAS number of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride is 15997-77-0.
What is the molecular formula of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride?
The molecular formula of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride is C18H25ClFNO.
What is the molecular weight of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride?
The molecular weight of Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride is 325.16 g/mol.
Where can I buy Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride?
You can request a quote for Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Butyrophenone, 4-(3-azabicyclo(3.2.2)nonyl)-4'-fluoro-, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.