![2-[(3-Fluorophenyl)methylsulfonyl]acetic acid structure](/static/products/440/440649-46-7.png)
2-[(3-Fluorophenyl)methylsulfonyl]acetic acid
TL;DR: 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid (CAS 440649-46-7) is a chemical compound with molecular formula C9H9FO4S and molecular weight 232.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfonyl]acetic acid
Also Known As: 2-[(3-fluorophenyl)methylsulfonyl]acetic Acid, (3-Fluoro-phenylmethanesulfonyl)-acetic acid
| Molecular Formula | C9H9FO4S |
|---|---|
| Molecular Weight | 232.02 g/mol |
| LogP | 0.8251 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 232.02055 |
| Heavy Atoms | 15 |
| Complexity | 466.7556 |
Chemical Identifiers
| CAS Number | 440649-46-7 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CS(=O)(=O)CC(=O)O |
Product Overview
2-[(3-Fluorophenyl)methylsulfonyl]acetic acid (CAS 440649-46-7), with molecular formula C9H9FO4S and molecular weight 232.02 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfonyl]acetic acid.
Chemical Property Profile of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid
Property Insights of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid
The XLogP value of 0.8251 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid. Following Lipinski's Rule of Five, 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid has 1 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-Fluorophenyl)methylsulfonyl]acetic acid?
The CAS number of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid is 440649-46-7.
What is the molecular formula of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid?
The molecular formula of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid is C9H9FO4S.
What is the molecular weight of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid?
The molecular weight of 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid is 232.02 g/mol.
Where can I buy 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid?
You can request a quote for 2-[(3-Fluorophenyl)methylsulfonyl]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-[(3-Fluorophenyl)methylsulfonyl]acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Fluorophenyl)methylsulfonyl]acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.