1,4-Butanedisulfonate
TL;DR: 1,4-Butanedisulfonate (CAS 36589-61-4) is a chemical compound with molecular formula C4H8Na2O6S2 and molecular weight 261.95578 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
disodium;butane-1,4-disulfonate
Also Known As: Sodium butane-1,4-disulfonate, 1,4-Butanedisulfonic Acid Disodium Salt, disodium butane-1,4-disulfonate, Disodium 1,4-Butanedisulfonate, 1,4-Butanedisulfonate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C4H8Na2O6S2 |
| Molecular Weight | 261.95578 g/mol |
| XLogP | -7.13 |
| Topological Polar Surface Area (TPSA) | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.95578 Da |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
| SMILES | C(CCS(=O)(=O)[O-])CS(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | LEUIUWYZAHKPSE-UHFFFAOYSA-L |
Chemical Property Profile of 1,4-Butanedisulfonate
Property Insights of 1,4-Butanedisulfonate
The XLogP value of -7.13 indicates that 1,4-Butanedisulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Butanedisulfonate. Following Lipinski's Rule of Five, 1,4-Butanedisulfonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1,4-Butanedisulfonate?
The CAS number of 1,4-Butanedisulfonate is 36589-61-4.
What is the molecular formula of 1,4-Butanedisulfonate?
The molecular formula of 1,4-Butanedisulfonate is C4H8Na2O6S2.
What is the molecular weight of 1,4-Butanedisulfonate?
The molecular weight of 1,4-Butanedisulfonate is 261.95578 g/mol.
Where can I buy 1,4-Butanedisulfonate?
You can request a quote for 1,4-Butanedisulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,4-Butanedisulfonate?
Yes, CoreyChem provides custom synthesis services for 1,4-Butanedisulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.