1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride
TL;DR: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride (CAS 110406-40-1) is a chemical compound with molecular formula C25H33Cl3N4O and molecular weight 510.172 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)methyl]-2-[1-[2-(dimethylamino)ethyl]azepan-4-yl]phthalazin-1-one;dihydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride, 4-[(4-chlorophenyl)methyl]-2-[1-(2-dimethylaminoethyl)azepan-4-yl]phthalazin-1-one Dihydrochloride, 4-[(4-Chlorophenyl)methyl]-2-{1-[2-(dimethylamino)ethyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C25H33Cl3N4O |
| Molecular Weight | 510.172 g/mol |
| XLogP | 5.0729 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 510.172 Da |
| Heavy Atoms | 33 |
| Complexity | 631.0 |
| SMILES | CN(C)CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.Cl.Cl |
| InChIKey | RVWVLQPUPVOFID-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride
Property Insights of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride
The XLogP value of 5.0729 indicates that 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride has 2 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 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride?
The CAS number of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride is 110406-40-1.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride is C25H33Cl3N4O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride is 510.172 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(2-(dimethylamino)ethyl)hexahydro-1H-azepin-4-yl)-, dihydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.