1,3-丁二醇二甲磺酸酯
TL;DR: 1,3-丁二醇二甲磺酸酯 (CAS 64923-50-8) is a chemical compound with molecular formula C6H14O6S2 and molecular weight 246.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-丁二醇二甲磺酸酯
3-methylsulfonyloxybutyl methanesulfonate
Also Known As: 1,3-Butanediol, dimethanesulfonate, 3-methylsulfonyloxybutyl methanesulfonate, butane-1,3-diyl dimethanesulfonate, 1,3-bis-(methanesulfonyloxy) butane, (R)-Butane-1,3-diyl dimethanesulfonate
| Molecular Formula | C6H14O6S2 |
|---|---|
| Molecular Weight | 246.02 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 246.02318 |
| Heavy Atoms | 14 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 64923-50-8 |
|---|---|
| SMILES | CC(CCOS(=O)(=O)C)OS(=O)(=O)C |
| InChIKey | SCXGDEPESDDDLL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-丁二醇二甲磺酸酯 (CAS 64923-50-8), with molecular formula C6H14O6S2 and molecular weight 246.02 g/mol. IUPAC: 3-methylsulfonyloxybutyl methanesulfonate.
Chemical Property Profile of 1,3-丁二醇二甲磺酸酯
Property Insights of 1,3-丁二醇二甲磺酸酯
The XLogP value of -0.1 indicates that 1,3-丁二醇二甲磺酸酯 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-丁二醇二甲磺酸酯. Following Lipinski's Rule of Five, 1,3-丁二醇二甲磺酸酯 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
Frequently Asked Questions
What is the CAS number of 1,3-丁二醇二甲磺酸酯?
The CAS number of 1,3-丁二醇二甲磺酸酯 is 64923-50-8.
What is the molecular formula of 1,3-丁二醇二甲磺酸酯?
The molecular formula of 1,3-丁二醇二甲磺酸酯 is C6H14O6S2.
What is the molecular weight of 1,3-丁二醇二甲磺酸酯?
The molecular weight of 1,3-丁二醇二甲磺酸酯 is 246.02 g/mol.
Where can I buy 1,3-丁二醇二甲磺酸酯?
You can request a quote for 1,3-丁二醇二甲磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-丁二醇二甲磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 1,3-丁二醇二甲磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.