1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) (CAS 110406-58-1) is a chemical compound with molecular formula C30H32ClF2N3O and molecular weight 523.2202 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-fluorophenyl)methyl]-2-[1-[3-(3-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1), 4-[(4-fluorophenyl)methyl]-2-[1-[3-(3-fluorophenyl)propyl]azepan-4-yl]phthalazin-1-one hydrochloride, 4-[(4-Fluorophenyl)methyl]-2-{1-[3-(3-fluorophenyl)propyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C30H32ClF2N3O |
| Molecular Weight | 523.2202 g/mol |
| XLogP | 6.3471 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.2202 Da |
| Heavy Atoms | 37 |
| Complexity | 752.0 |
| SMILES | C1CC(CCN(C1)CCCC2=CC(=CC=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
| InChIKey | ORQKJMLQFHRXQE-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
Property Insights of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
The XLogP value of 6.3471 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) 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-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) 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, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is 110406-58-1.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is C30H32ClF2N3O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is 523.2202 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) 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-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(1-(3-(3-fluorophenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.