1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)
TL;DR: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) (CAS 110406-39-8) is a chemical compound with molecular formula C27H32ClN3O7 and molecular weight 545.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)methyl]-2-[1-[2-(2-hydroxyethoxy)ethyl]azepan-4-yl]phthalazin-1-one;oxalic acid
Also Known As: 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt), 4-[(4-chlorophenyl)methyl]-2-[1-[2-(2-hydroxyethoxy)ethyl]azepan-4-yl]phthalazin-1-one; oxalic acid, Oxalic acid--4-[(4-chlorophenyl)methyl]-2-{1-[2-(2-hydroxyethoxy)ethyl]azepan-4-yl}phthalazin-1(2H)-one (1/1), RefChem:211577
| Molecular Formula | C27H32ClN3O7 |
|---|---|
| Molecular Weight | 545.19 g/mol |
| LogP | 2.8322 |
| Topological Polar Surface Area | 142.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.1929 |
| Heavy Atoms | 38 |
| Complexity | 1267.8965 |
Chemical Identifiers
| CAS Number | 110406-39-8 |
|---|---|
| SMILES | C1CC(CCN(C1)CCOCCO)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)Cl.C(=O)(C(=O)O)O |
Product Overview
1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) (CAS 110406-39-8), with molecular formula C27H32ClN3O7 and molecular weight 545.19 g/mol. IUPAC: 4-[(4-chlorophenyl)methyl]-2-[1-[2-(2-hydroxyethoxy)ethyl]azepan-4-yl]phthalazin-1-one;oxalic acid.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)
Property Insights of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)
The XLogP value of 2.8322 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt). The TPSA of 142.19 Ų indicates high polarity, suggesting 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)?
The CAS number of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) is 110406-39-8.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) is C27H32ClN3O7.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) is 545.19 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt)?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-chlorophenyl)methyl)-2-(hexahydro-1-(2-(2-hydroxyethoxy)ethyl)-1H-azepin-4-yl)-, ethanedioate(1:1) (salt) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.