2-sulfoterephthalic Acid
TL;DR: 2-sulfoterephthalic Acid (CAS 4991-22-4) is a chemical compound with molecular formula C8H6O7S and molecular weight 245.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-sulfoterephthalic acid
Also Known As: 2-sulfoterephthalic Acid, 1,4-Benzenedicarboxylic acid, 2-sulfo-, 2-sulfo-1,4-benzenedicarboxylic acid, 1,4-Benzenedicarboxylic acid,2-sulfo, 2-SULFOBENZENE-1,4-DICARBOXYLIC ACID
| Molecular Formula | C8H6O7S |
|---|---|
| Molecular Weight | 245.98 g/mol |
| LogP | 0.3297 |
| Topological Polar Surface Area | 128.97 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 245.98343 |
| Heavy Atoms | 16 |
| Complexity | 557.7496 |
Chemical Identifiers
| CAS Number | 4991-22-4 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)O)C(=O)O |
Product Overview
2-sulfoterephthalic Acid (CAS 4991-22-4), with molecular formula C8H6O7S and molecular weight 245.98 g/mol. IUPAC: 2-sulfoterephthalic acid.
Chemical Property Profile of 2-sulfoterephthalic Acid
Property Insights of 2-sulfoterephthalic Acid
The XLogP value of 0.3297 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-sulfoterephthalic Acid. The TPSA of 128.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-sulfoterephthalic Acid. Following Lipinski's Rule of Five, 2-sulfoterephthalic Acid has 3 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-sulfoterephthalic Acid?
The CAS number of 2-sulfoterephthalic Acid is 4991-22-4.
What is the molecular formula of 2-sulfoterephthalic Acid?
The molecular formula of 2-sulfoterephthalic Acid is C8H6O7S.
What is the molecular weight of 2-sulfoterephthalic Acid?
The molecular weight of 2-sulfoterephthalic Acid is 245.98 g/mol.
Where can I buy 2-sulfoterephthalic Acid?
You can request a quote for 2-sulfoterephthalic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-sulfoterephthalic Acid?
Yes, KEHONG BIO provides custom synthesis services for 2-sulfoterephthalic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.