Neopentyl glycol dimethylsulfate
TL;DR: Neopentyl glycol dimethylsulfate (CAS 53555-41-2) is a chemical compound with molecular formula C7H16O6S2 and molecular weight 260.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
Also Known As: Neopentyl glycol dimethylsulfate, 2,2-Dimethylpropane-1,3-diyl dimethanesulfonate, NEOPENTYL GLYCOL DIMETHYLSULFATE 97, 2,2-Dimethyl-1,3-propanediol dimethylsulfate, (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate
| Molecular Formula | C7H16O6S2 |
|---|---|
| Molecular Weight | 260.04 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 260.03882 |
| Heavy Atoms | 15 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 53555-41-2 |
|---|---|
| SMILES | CC(C)(COS(=O)(=O)C)COS(=O)(=O)C |
| InChIKey | MBBDNGMNEVIICT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentyl glycol dimethylsulfate (CAS 53555-41-2), with molecular formula C7H16O6S2 and molecular weight 260.04 g/mol. IUPAC: (2,2-dimethyl-3-methylsulfonyloxypropyl) methanesulfonate.
Chemical Property Profile of Neopentyl glycol dimethylsulfate
Property Insights of Neopentyl glycol dimethylsulfate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Neopentyl glycol dimethylsulfate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Neopentyl glycol dimethylsulfate. Following Lipinski's Rule of Five, Neopentyl glycol dimethylsulfate 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 Neopentyl glycol dimethylsulfate?
The CAS number of Neopentyl glycol dimethylsulfate is 53555-41-2.
What is the molecular formula of Neopentyl glycol dimethylsulfate?
The molecular formula of Neopentyl glycol dimethylsulfate is C7H16O6S2.
What is the molecular weight of Neopentyl glycol dimethylsulfate?
The molecular weight of Neopentyl glycol dimethylsulfate is 260.04 g/mol.
Where can I buy Neopentyl glycol dimethylsulfate?
You can request a quote for Neopentyl glycol dimethylsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentyl glycol dimethylsulfate?
Yes, KEHONG BIO provides custom synthesis services for Neopentyl glycol dimethylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.