1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride (CAS 110406-74-1) is a chemical compound with molecular formula C30H31ClFN3O and molecular weight 503.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-2-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride, 4-[(4-fluorophenyl)methyl]-2-(8-phenethyl-8-azabicyclo[3.2.1]octan-3-yl)phthalazin-1-one hydrochloride, 4-[(4-Fluorophenyl)methyl]-2-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1(2H)-one--hydrogen chloride (1/1), RefChem:211593
| Molecular Formula | C30H31ClFN3O |
|---|---|
| Molecular Weight | 503.21 g/mol |
| LogP | 5.9588 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 503.21396 |
| Heavy Atoms | 36 |
| Complexity | 1375.2408 |
Chemical Identifiers
| CAS Number | 110406-74-1 |
|---|---|
| SMILES | C1CC2CC(CC1N2CCC3=CC=CC=C3)N4C(=O)C5=CC=CC=C5C(=N4)CC6=CC=C(C=C6)F.Cl |
Product Overview
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride (CAS 110406-74-1), with molecular formula C30H31ClFN3O and molecular weight 503.21 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-2-[8-(2-phenylethyl)-8-azabicyclo[3.2.1]octan-3-yl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride
The XLogP value of 5.9588 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride has 0 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(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride is 110406-74-1.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride is C30H31ClFN3O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride is 503.21 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, 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, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(8-(2-phenylethyl)-8-azabicyclo(3.2.1)oct-3-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.