4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl
TL;DR: 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl (CAS 110406-28-5) is a chemical compound with molecular formula C28H28Cl2FN3O and molecular weight 511.15933 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl, 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-((4-fluorophenyl)methyl)hexahydro-1H-azepin-4-yl)-, monohydrochloride, 4-[(4-chlorophenyl)methyl]-2-[1-[(4-fluorophenyl)methyl]azepan-4-yl]phthalazin-1-one hydrochloride, 4-[(4-Chlorophenyl)methyl]-2-{1-[(4-fluorophenyl)methyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C28H28Cl2FN3O |
| Molecular Weight | 511.15933 g/mol |
| XLogP | 6.4288 |
| Topological Polar Surface Area (TPSA) | 35.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 511.15933 Da |
| Heavy Atoms | 35 |
| Complexity | 716.0 |
| SMILES | C1CC(CCN(C1)CC2=CC=C(C=C2)F)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl.Cl |
| InChIKey | VCGIMTIGXRXOCG-UHFFFAOYSA-N |
Chemical Property Profile of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl
Property Insights of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl
The XLogP value of 6.4288 indicates that 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.9 Ų, 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl?
The CAS number of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl is 110406-28-5.
What is the molecular formula of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl?
The molecular formula of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl is C28H28Cl2FN3O.
What is the molecular weight of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl?
The molecular weight of 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl is 511.15933 g/mol.
Where can I buy 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl?
You can request a quote for 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl?
Yes, CoreyChem provides custom synthesis services for 4-(p-Chlorobenzyl)-2-(1-(4-fluorobenzyl)-4-hexahydroazepinyl)-1(2H)-phthalazinone HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.