1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride (CAS 110406-73-0) is a chemical compound with molecular formula C31H37ClFN3O2 and molecular weight 537.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride, 2-[8-(3-Cyclohexyl-3-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1(2H)-one--hydrogen chloride (1/1), 2-[8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one hydrochloride, RefChem:211558
| Molecular Formula | C31H37ClFN3O2 |
|---|---|
| Molecular Weight | 537.26 g/mol |
| LogP | 6.2556 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 537.25586 |
| Heavy Atoms | 38 |
| Complexity | 1321.1992 |
Chemical Identifiers
| CAS Number | 110406-73-0 |
|---|---|
| SMILES | C1CCC(CC1)C(=O)CCN2C3CCC2CC(C3)N4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)F.Cl |
Product Overview
1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride (CAS 110406-73-0), with molecular formula C31H37ClFN3O2 and molecular weight 537.26 g/mol. IUPAC: 2-[8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
The XLogP value of 6.2556 indicates that 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 110406-73-0.
What is the molecular formula of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is C31H37ClFN3O2.
What is the molecular weight of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 537.26 g/mol.
Where can I buy 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 2-(8-(3-cyclohexyl-3-oxopropyl)-8-azabicyclo(3.2.1)oct-3-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.