1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride (CAS 110406-53-6) is a chemical compound with molecular formula C30H33ClFN3O and molecular weight 505.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methylphenyl)ethyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride, 4-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methylphenyl)ethyl]azepan-4-yl]phthalazin-1-one hydrochloride, 4-[(4-Fluorophenyl)methyl]-2-{1-[2-(4-methylphenyl)ethyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1), RefChem:211598
| Molecular Formula | C30H33ClFN3O |
|---|---|
| Molecular Weight | 505.23 g/mol |
| LogP | 6.12632 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 505.2296 |
| Heavy Atoms | 36 |
| Complexity | 1351.7427 |
Chemical Identifiers
| CAS Number | 110406-53-6 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CCN2CCCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
Product Overview
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride (CAS 110406-53-6), with molecular formula C30H33ClFN3O and molecular weight 505.23 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-2-[1-[2-(4-methylphenyl)ethyl]azepan-4-yl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
The XLogP value of 6.12632 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-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-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-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-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-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-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is 110406-53-6.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is C30H33ClFN3O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is 505.23 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-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-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(4-methylphenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.