1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
TL;DR: 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- (CAS 61098-72-4) is a chemical compound with molecular formula C23H27ClFNO2 and molecular weight 403.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one;hydrochloride
Also Known As: 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-, 1-(4-fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]oct-6-yl]butan-1-one Hydrochloride, 1-(4-Fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one--hydrogen chloride (1/1), 1-(4-fluorophenyl)-4-[5-(3-hydroxyphenyl)-7-azabicyclo[3.2.1]octan-7-yl]butan-1-one hydrochloride, RefChem:228852
| Molecular Formula | C23H27ClFNO2 |
|---|---|
| Molecular Weight | 403.17 g/mol |
| LogP | 5.1122 |
| Topological Polar Surface Area | 40.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 403.17145 |
| Heavy Atoms | 28 |
| Complexity | 825.607 |
Chemical Identifiers
| CAS Number | 61098-72-4 |
|---|---|
| SMILES | C1CC2CC(C1)(CN2CCCC(=O)C3=CC=C(C=C3)F)C4=CC(=CC=C4)O.Cl |
Product Overview
1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- (CAS 61098-72-4), with molecular formula C23H27ClFNO2 and molecular weight 403.17 g/mol. IUPAC: 1-(4-fluorophenyl)-4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]butan-1-one;hydrochloride.
Chemical Property Profile of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
Property Insights of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-
The XLogP value of 5.1122 indicates that 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.54 Ų, 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-?
The CAS number of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- is 61098-72-4.
What is the molecular formula of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-?
The molecular formula of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- is C23H27ClFNO2.
What is the molecular weight of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-?
The molecular weight of 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- is 403.17 g/mol.
Where can I buy 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-?
You can request a quote for 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butanone, 1-(4-fluorophenyl)-4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-, hydrochloride, (+-)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.