Bis(2-hydroxyethyl) 5-sulfoisophthalic acid
TL;DR: Bis(2-hydroxyethyl) 5-sulfoisophthalic acid (CAS 51097-52-0) is a chemical compound with molecular formula C12H14O9S and molecular weight 334.03586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonic acid
Also Known As: Bis(2-hydroxyethyl) 5-sulfoisophthalic acid, bis(2-hydroxyethyl) 5-sulfoisophthalate, 3,5-bis(2-hydroxyethoxycarbonyl)benzenesulfonic Acid, J1.505.838B, 1,3-Benzenedicarboxylic acid, 5-sulfo-, 1,3-bis(2-hydroxyethyl) ester
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H14O9S |
| Molecular Weight | 334.03586 g/mol |
| XLogP | -1.0 |
| Topological Polar Surface Area (TPSA) | 156.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 334.03586 Da |
| Heavy Atoms | 22 |
| Complexity | 453.0 |
| SMILES | C1=C(C=C(C=C1C(=O)OCCO)S(=O)(=O)O)C(=O)OCCO |
| InChIKey | ZZCGIOXIFVEBPK-UHFFFAOYSA-N |
Chemical Property Profile of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid
Property Insights of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid
The XLogP value of -1.0 indicates that Bis(2-hydroxyethyl) 5-sulfoisophthalic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 156.0 Ų indicates high polarity, suggesting Bis(2-hydroxyethyl) 5-sulfoisophthalic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2-hydroxyethyl) 5-sulfoisophthalic acid has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid?
The CAS number of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid is 51097-52-0.
What is the molecular formula of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid?
The molecular formula of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid is C12H14O9S.
What is the molecular weight of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid?
The molecular weight of Bis(2-hydroxyethyl) 5-sulfoisophthalic acid is 334.03586 g/mol.
Where can I buy Bis(2-hydroxyethyl) 5-sulfoisophthalic acid?
You can request a quote for Bis(2-hydroxyethyl) 5-sulfoisophthalic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Bis(2-hydroxyethyl) 5-sulfoisophthalic acid?
Yes, CoreyChem provides custom synthesis services for Bis(2-hydroxyethyl) 5-sulfoisophthalic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.