3-(4-Fluorophenyl)phthalazin-3-ium-1-olate
TL;DR: 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate (CAS 320422-01-3) is a chemical compound with molecular formula C14H9FN2O and molecular weight 240.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-fluorophenyl)phthalazin-3-ium-1-olate
Also Known As: 3-(4-fluorophenyl)phthalazin-3-ium-1-olate, 3-(4-fluorophenyl)phthalazin-1-ol, 3-(4-fluorophenyl)phthalazin-1-olate, 12L-026, 2-(4-fluorophenyl)-2lambda5-phthalazin-2-ylium-4-olate
| Molecular Formula | C14H9FN2O |
|---|---|
| Molecular Weight | 240.07 g/mol |
| LogP | 1.7242 |
| Topological Polar Surface Area | 39.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.06989 |
| Heavy Atoms | 18 |
| Complexity | 710.56586 |
Chemical Identifiers
| CAS Number | 320422-01-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=[N+](N=C2[O-])C3=CC=C(C=C3)F |
Product Overview
3-(4-Fluorophenyl)phthalazin-3-ium-1-olate (CAS 320422-01-3), with molecular formula C14H9FN2O and molecular weight 240.07 g/mol. IUPAC: 3-(4-fluorophenyl)phthalazin-3-ium-1-olate.
Chemical Property Profile of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate
Property Insights of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate
The XLogP value of 1.7242 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate. With a topological polar surface area (TPSA) of 39.83 Ų, 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate has 0 hydrogen bond donor(s) and 2 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 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate?
The CAS number of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate is 320422-01-3.
What is the molecular formula of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate?
The molecular formula of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate is C14H9FN2O.
What is the molecular weight of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate?
The molecular weight of 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate is 240.07 g/mol.
Where can I buy 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate?
You can request a quote for 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Fluorophenyl)phthalazin-3-ium-1-olate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.