![2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid structure](/static/products/5544/554404-23-8.webp)
2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid
TL;DR: 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid (CAS 554404-23-8) is a chemical compound with molecular formula C16H11FN2O2S and molecular weight 314.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetic acid
Also Known As: 2-{[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid, 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetic Acid, 2-((4-(4-Fluorophenyl)phthalazin-1-yl)thio)acetic acid, [4-(4-Fluoro-phenyl)-phthalazin-1-ylsulfanyl]-acetic acid, 2-{[4-(4-fluorophenyl)phthalazin-1-yl]sulfanyl}aceticacid
| Molecular Formula | C16H11FN2O2S |
|---|---|
| Molecular Weight | 314.05 g/mol |
| LogP | 3.6126 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 314.05252 |
| Heavy Atoms | 22 |
| Complexity | 837.17346 |
Chemical Identifiers
| CAS Number | 554404-23-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=NN=C2SCC(=O)O)C3=CC=C(C=C3)F |
Product Overview
2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid (CAS 554404-23-8), with molecular formula C16H11FN2O2S and molecular weight 314.05 g/mol. IUPAC: 2-[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylacetic acid.
Chemical Property Profile of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid
Property Insights of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid
The XLogP value of 3.6126 indicates that 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid. Following Lipinski's Rule of Five, 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid has 1 hydrogen bond donor(s) and 4 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-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid?
The CAS number of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid is 554404-23-8.
What is the molecular formula of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid?
The molecular formula of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid is C16H11FN2O2S.
What is the molecular weight of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid?
The molecular weight of 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid is 314.05 g/mol.
Where can I buy 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid?
You can request a quote for 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-Fluorophenyl)phthalazin-1-yl]sulfanyl}acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.