1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride
TL;DR: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride (CAS 110406-32-1) is a chemical compound with molecular formula C24H27ClFN3O and molecular weight 427.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one;hydrochloride
Also Known As: 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride, 4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one Hydrochloride, 4-[(4-Fluorophenyl)methyl]-2-[1-(prop-2-en-1-yl)azepan-4-yl]phthalazin-1(2H)-one--hydrogen chloride (1/1), RefChem:211599
| Molecular Formula | C24H27ClFN3O |
|---|---|
| Molecular Weight | 427.18 g/mol |
| LogP | 4.7612 |
| Topological Polar Surface Area | 38.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 427.18268 |
| Heavy Atoms | 30 |
| Complexity | 1064.2292 |
Chemical Identifiers
| CAS Number | 110406-32-1 |
|---|---|
| SMILES | C=CCN1CCCC(CC1)N2C(=O)C3=CC=CC=C3C(=N2)CC4=CC=C(C=C4)F.Cl |
Product Overview
1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride (CAS 110406-32-1), with molecular formula C24H27ClFN3O and molecular weight 427.18 g/mol. IUPAC: 4-[(4-fluorophenyl)methyl]-2-(1-prop-2-enylazepan-4-yl)phthalazin-1-one;hydrochloride.
Chemical Property Profile of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride
Property Insights of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride
The XLogP value of 4.7612 indicates that 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,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, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride?
The CAS number of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride is 110406-32-1.
What is the molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride?
The molecular formula of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride is C24H27ClFN3O.
What is the molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride?
The molecular weight of 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride is 427.18 g/mol.
Where can I buy 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride?
You can request a quote for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,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, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Phthalazinone, 4-((4-fluorophenyl)methyl)-2-(hexahydro-1-(2-propenyl)-1H-azepin-4-yl)-,monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.