1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride (CAS 110406-83-2) is a chemical compound with molecular formula C30H30ClF4N3O and molecular weight 559.20135 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride, 4-[(4-Fluorophenyl)methyl]-2-(1-{2-[3-(trifluoromethyl)phenyl]ethyl}azepan-4-yl)phthalazin-1(2H)-one--hydrogen chloride (1/1), 4-[(4-fluorophenyl)methyl]-2-[1-[2-[3-(trifluoromethyl)phenyl]ethyl]azepan-4-yl]phthalazin-1-one hydrochloride
Technical Specifications
| Molecular Formula | C30H30ClF4N3O |
| Molecular Weight | 559.20135 g/mol |
| XLogP | 6.8367 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 559.20135 Da |
| Heavy Atoms | 39 |
| Complexity | 825.0 |
| SMILES | C1CC(CCN(C1)CCC2=CC(=CC=C2)C(F)(F)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
| InChIKey | SRFPVPHEVAOIQS-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride
The XLogP value of 6.8367 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)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 35.9 Ų, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)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-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is 110406-83-2.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is C30H30ClF4N3O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride is 559.20135 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-(3-(trifluoromethyl)phenyl)ethyl)-1H-azepin-4-yl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.