1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride (CAS 110425-24-6) is a chemical compound with molecular formula C29H30ClF2N3O and molecular weight 509.20456 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride, 2-[1-[2-(4-fluorophenyl)ethyl]azepan-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one hydrochloride, 2-{1-[2-(4-Fluorophenyl)ethyl]azepan-4-yl}-4-[(4-fluorophenyl)methyl]phthalazin-1(2H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C29H30ClF2N3O |
| Molecular Weight | 509.20456 g/mol |
| XLogP | 5.957 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 509.20456 Da |
| Heavy Atoms | 36 |
| Complexity | 729.0 |
| SMILES | C1CC(CCN(C1)CCC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
| InChIKey | KMCZQQWKFYXMRB-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
The XLogP value of 5.957 indicates that 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-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 35.9 Ų, 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-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-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 110425-24-6.
What is the molecular formula of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is C29H30ClF2N3O.
What is the molecular weight of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 509.20456 g/mol.
Where can I buy 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 2-(1-(2-(4-fluorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.