![2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile structure](/static/products/4780/478041-35-9.webp)
2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile
TL;DR: 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile (CAS 478041-35-9) is a chemical compound with molecular formula C17H12FN3O and molecular weight 293.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetonitrile
Also Known As: 2-[3-(4-fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile, 2-{3-[(4-fluorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetonitrile, 2-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetonitrile, 2-[3-[(4-fluorophenyl)methyl]-4-oxo-phthalazin-1-yl]acetonitrile, {3-[(4-Fluorophenyl)methyl]-4-oxo-3,4-dihydrophthalazin-1-yl}acetonitrile
| Molecular Formula | C17H12FN3O |
|---|---|
| Molecular Weight | 293.10 g/mol |
| LogP | 2.64998 |
| Topological Polar Surface Area | 58.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 293.09644 |
| Heavy Atoms | 22 |
| Complexity | 923.2723 |
Chemical Identifiers
| CAS Number | 478041-35-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC=C(C=C3)F)CC#N |
Product Overview
2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile (CAS 478041-35-9), with molecular formula C17H12FN3O and molecular weight 293.10 g/mol. IUPAC: 2-[3-[(4-fluorophenyl)methyl]-4-oxophthalazin-1-yl]acetonitrile.
Chemical Property Profile of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile
Property Insights of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile
The XLogP value of 2.64998 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile. With a topological polar surface area (TPSA) of 58.68 Ų, 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile 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 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile?
The CAS number of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile is 478041-35-9.
What is the molecular formula of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile?
The molecular formula of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile is C17H12FN3O.
What is the molecular weight of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile?
The molecular weight of 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile is 293.10 g/mol.
Where can I buy 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile?
You can request a quote for 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[3-(4-Fluorobenzyl)-4-oxo-3,4-dihydro-1-phthalazinyl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.