Isethionate
TL;DR: Isethionate (CAS 186268-07-5) is a chemical compound with molecular formula C2H5O4S- and molecular weight 124.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxyethanesulfonate
Also Known As: Isethionate, 2-Hydroxyethanesulfonate, Isethionate(1-), ISETHIONIC ACID, 2-hydroxyethansulfonate
| Molecular Formula | C2H5O4S- |
|---|---|
| Molecular Weight | 124.99 g/mol |
| LogP | -1.4761 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 124.99085 |
| Heavy Atoms | 7 |
| Complexity | 122.62522 |
Chemical Identifiers
| CAS Number | 186268-07-5 |
|---|---|
| SMILES | C(CS(=O)(=O)[O-])O |
Product Overview
Isethionate (CAS 186268-07-5), with molecular formula C2H5O4S- and molecular weight 124.99 g/mol. IUPAC: 2-hydroxyethanesulfonate.
Chemical Property Profile of Isethionate
Property Insights of Isethionate
The XLogP value of -1.4761 indicates that Isethionate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Isethionate. Following Lipinski's Rule of Five, Isethionate has 1 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 Isethionate?
The CAS number of Isethionate is 186268-07-5.
What is the molecular formula of Isethionate?
The molecular formula of Isethionate is C2H5O4S-.
What is the molecular weight of Isethionate?
The molecular weight of Isethionate is 124.99 g/mol.
Where can I buy Isethionate?
You can request a quote for Isethionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isethionate?
Yes, KEHONG BIO provides custom synthesis services for Isethionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.