1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
TL;DR: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) (CAS 110406-50-3) is a chemical compound with molecular formula C32H37Cl2N3O3 and molecular weight 581.2212 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[(4-chlorophenyl)methyl]-2-[1-[3-(3,4-dimethoxyphenyl)propyl]azepan-4-yl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1), 4-[(4-chlorophenyl)methyl]-2-[1-[3-(3,4-dimethoxyphenyl)propyl]azepan-4-yl]phthalazin-1-one hydrochloride, 4-[(4-Chlorophenyl)methyl]-2-{1-[3-(3,4-dimethoxyphenyl)propyl]azepan-4-yl}phthalazin-1(2H)-one--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C32H37Cl2N3O3 |
| Molecular Weight | 581.2212 g/mol |
| XLogP | 6.7395 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 581.2212 Da |
| Heavy Atoms | 40 |
| Complexity | 816.0 |
| SMILES | COC1=C(C=C(C=C1)CCCN2CCCC(CC2)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)Cl)OC.Cl |
| InChIKey | GZBUBDWWYJUJJB-UHFFFAOYSA-N |
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
Property Insights of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)
The XLogP value of 6.7395 indicates that 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)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 54.4 Ų, 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)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-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)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-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The CAS number of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is 110406-50-3.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is C32H37Cl2N3O3.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1) is 581.2212 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)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-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)propyl)hexahydro-1H-azepin-4-yl)-, hydrochloride, hydrate (1:1:1)?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(1-(3-(3,4-dimethoxyphenyl)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.