(4-Sulfophenyl)acetic acid
TL;DR: (4-Sulfophenyl)acetic acid (CAS 153661-28-0) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.00925 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-sulfophenyl)acetic acid
Also Known As: 2-(4-sulfophenyl)acetic Acid, (4-sulfophenyl)acetic acid, p-sulfophenylacetic acid, p-Sulfobenzeneacetic acid, 4-Sulfobenzeneacetic acid
Technical Specifications
| Molecular Formula | C8H8O5S |
| Molecular Weight | 216.00925 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00925 Da |
| Heavy Atoms | 14 |
| Complexity | 294.0 |
| SMILES | C1=CC(=CC=C1CC(=O)O)S(=O)(=O)O |
| InChIKey | KGJGWDQUGUEMIW-UHFFFAOYSA-N |
Chemical Property Profile of (4-Sulfophenyl)acetic acid
Property Insights of (4-Sulfophenyl)acetic acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Sulfophenyl)acetic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Sulfophenyl)acetic acid. Following Lipinski's Rule of Five, (4-Sulfophenyl)acetic acid has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of (4-Sulfophenyl)acetic acid?
The CAS number of (4-Sulfophenyl)acetic acid is 153661-28-0.
What is the molecular formula of (4-Sulfophenyl)acetic acid?
The molecular formula of (4-Sulfophenyl)acetic acid is C8H8O5S.
What is the molecular weight of (4-Sulfophenyl)acetic acid?
The molecular weight of (4-Sulfophenyl)acetic acid is 216.00925 g/mol.
Where can I buy (4-Sulfophenyl)acetic acid?
You can request a quote for (4-Sulfophenyl)acetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (4-Sulfophenyl)acetic acid?
Yes, CoreyChem provides custom synthesis services for (4-Sulfophenyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.