2-Butyne-1,4-diol, 1,4-dimethanesulfonate
TL;DR: 2-Butyne-1,4-diol, 1,4-dimethanesulfonate (CAS 2917-96-6) is a chemical compound with molecular formula C6H10O6S2 and molecular weight 241.99188 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methylsulfonyloxybut-2-ynyl methanesulfonate
Also Known As: 1,4-bis but-2-yne, 1,4-DIMETHANESULFONOXY-2-BUTYNE, 1,4-Bis(mesyloxy)-2-butyne, NCIOpen2_004729, 2-Butyne-1, dimethanesulfonate
Application Areas
Top 5 of 5 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H10O6S2 |
| Molecular Weight | 241.99188 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 241.99188 Da |
| Heavy Atoms | 14 |
| Complexity | 380.0 |
| SMILES | CS(=O)(=O)OCC#CCOS(=O)(=O)C |
| InChIKey | UGPGBZBAORCFNA-UHFFFAOYSA-N |
Chemical Property Profile of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate
Property Insights of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate
The XLogP value of -0.9 indicates that 2-Butyne-1,4-diol, 1,4-dimethanesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Butyne-1,4-diol, 1,4-dimethanesulfonate. Following Lipinski's Rule of Five, 2-Butyne-1,4-diol, 1,4-dimethanesulfonate 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 2-Butyne-1,4-diol, 1,4-dimethanesulfonate?
The CAS number of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate is 2917-96-6.
What is the molecular formula of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate?
The molecular formula of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate is C6H10O6S2.
What is the molecular weight of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate?
The molecular weight of 2-Butyne-1,4-diol, 1,4-dimethanesulfonate is 241.99188 g/mol.
Where can I buy 2-Butyne-1,4-diol, 1,4-dimethanesulfonate?
You can request a quote for 2-Butyne-1,4-diol, 1,4-dimethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Butyne-1,4-diol, 1,4-dimethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 2-Butyne-1,4-diol, 1,4-dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.