1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride (CAS 110406-52-5) is a chemical compound with molecular formula C29H30Cl2FN3O and molecular weight 525.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-[2-(3-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride, 2-[1-[2-(3-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one hydrochloride, 2-{1-[2-(3-Chlorophenyl)ethyl]azepan-4-yl}-4-[(4-fluorophenyl)methyl]phthalazin-1(2H)-one--hydrogen chloride (1/1), RefChem:211548
| Molecular Formula | C29H30Cl2FN3O |
|---|---|
| Molecular Weight | 525.17 g/mol |
| LogP | 6.4713 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 525.175 |
| Heavy Atoms | 36 |
| Complexity | 1373.318 |
Chemical Identifiers
| CAS Number | 110406-52-5 |
|---|---|
| SMILES | C1CC(CCN(C1)CCC2=CC(=CC=C2)Cl)N3C(=O)C4=CC=CC=C4C(=N3)CC5=CC=C(C=C5)F.Cl |
Product Overview
1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride (CAS 110406-52-5), with molecular formula C29H30Cl2FN3O and molecular weight 525.17 g/mol. IUPAC: 2-[1-[2-(3-chlorophenyl)ethyl]azepan-4-yl]-4-[(4-fluorophenyl)methyl]phthalazin-1-one;hydrochloride.
Chemical Property Profile of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride
The XLogP value of 6.4713 indicates that 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.13 Ų, 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride has 0 hydrogen bond donor(s) and 3 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, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 110406-52-5.
What is the molecular formula of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is C29H30Cl2FN3O.
What is the molecular weight of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride is 525.17 g/mol.
Where can I buy 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride 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, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 2-(1-(2-(3-chlorophenyl)ethyl)hexahydro-1H-azepin-4-yl)-4-((4-fluorophenyl)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.