1,3-Propanediol, 1,3-dimethanesulfonate
TL;DR: 1,3-Propanediol, 1,3-dimethanesulfonate (CAS 15886-84-7) is a chemical compound with molecular formula C5H12O6S2 and molecular weight 232.00754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylsulfonyloxypropyl methanesulfonate
Also Known As: Propylene dimethanesulfonate, 1,3-Propanediol dimethanesulfonate, Trimethylene dimethanesulfonate, 1,3-Dimethanesulphonoxypropane, Trimethylene dimethanesulphonate
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H12O6S2 |
| Molecular Weight | 232.00754 g/mol |
| XLogP | -0.9 |
| Topological Polar Surface Area (TPSA) | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 232.00754 Da |
| Heavy Atoms | 13 |
| Complexity | 281.0 |
| SMILES | CS(=O)(=O)OCCCOS(=O)(=O)C |
| InChIKey | MAIFZJHANFOZHK-UHFFFAOYSA-N |
Chemical Property Profile of 1,3-Propanediol, 1,3-dimethanesulfonate
Property Insights of 1,3-Propanediol, 1,3-dimethanesulfonate
The XLogP value of -0.9 indicates that 1,3-Propanediol, 1,3-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 1,3-Propanediol, 1,3-dimethanesulfonate. Following Lipinski's Rule of Five, 1,3-Propanediol, 1,3-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 1,3-Propanediol, 1,3-dimethanesulfonate?
The CAS number of 1,3-Propanediol, 1,3-dimethanesulfonate is 15886-84-7.
What is the molecular formula of 1,3-Propanediol, 1,3-dimethanesulfonate?
The molecular formula of 1,3-Propanediol, 1,3-dimethanesulfonate is C5H12O6S2.
What is the molecular weight of 1,3-Propanediol, 1,3-dimethanesulfonate?
The molecular weight of 1,3-Propanediol, 1,3-dimethanesulfonate is 232.00754 g/mol.
Where can I buy 1,3-Propanediol, 1,3-dimethanesulfonate?
You can request a quote for 1,3-Propanediol, 1,3-dimethanesulfonate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,3-Propanediol, 1,3-dimethanesulfonate?
Yes, CoreyChem provides custom synthesis services for 1,3-Propanediol, 1,3-dimethanesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.