alpha-Sulfophenylacetic acid
TL;DR: alpha-Sulfophenylacetic acid (CAS 39925-38-7) is a chemical compound with molecular formula C8H8O5S and molecular weight 216.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-sulfoacetic acid
Also Known As: alpha-Sulfophenylacetic acid, 2-phenyl-2-sulfoacetic acid, Prenylpiperitol, D-Sulfophenylaceticacid, Benzeneacetic acid, a-sulfo-
| Molecular Formula | C8H8O5S |
|---|---|
| Molecular Weight | 216.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.00925 |
| Heavy Atoms | 14 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 39925-38-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)S(=O)(=O)O |
| InChIKey | USNMCXDGQQVYSW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
alpha-Sulfophenylacetic acid (CAS 39925-38-7), with molecular formula C8H8O5S and molecular weight 216.01 g/mol. IUPAC: 2-phenyl-2-sulfoacetic acid.
Chemical Property Profile of alpha-Sulfophenylacetic acid
Property Insights of alpha-Sulfophenylacetic acid
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for alpha-Sulfophenylacetic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for alpha-Sulfophenylacetic acid. Following Lipinski's Rule of Five, alpha-Sulfophenylacetic 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
Frequently Asked Questions
What is the CAS number of alpha-Sulfophenylacetic acid?
The CAS number of alpha-Sulfophenylacetic acid is 39925-38-7.
What is the molecular formula of alpha-Sulfophenylacetic acid?
The molecular formula of alpha-Sulfophenylacetic acid is C8H8O5S.
What is the molecular weight of alpha-Sulfophenylacetic acid?
The molecular weight of alpha-Sulfophenylacetic acid is 216.01 g/mol.
Where can I buy alpha-Sulfophenylacetic acid?
You can request a quote for alpha-Sulfophenylacetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for alpha-Sulfophenylacetic acid?
Yes, KEHONG BIO provides custom synthesis services for alpha-Sulfophenylacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.