对二甲苯-α,二甲基磺酸酯
TL;DR: 对二甲苯-α,二甲基磺酸酯 (CAS 1953-55-5) is a chemical compound with molecular formula C10H14O6S2 and molecular weight 294.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
对二甲苯-α,二甲基磺酸酯
[4-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate
Also Known As: p-Xylene-.alpha., dimethanesulfonate, 1,4-Benzenebis(methanol methanesulfonate), 1,4-Benzenedimethanol, 1,4-dimethanesulfonate, (1,4-Phenylene)bis(methylene) dimethanesulfonate, p-Xylene-.alpha.,.alpha.'-diol, dimethanesulfonate
| Molecular Formula | C10H14O6S2 |
|---|---|
| Molecular Weight | 294.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0232 |
| Heavy Atoms | 18 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 1953-55-5 |
|---|---|
| SMILES | CS(=O)(=O)OCC1=CC=C(C=C1)COS(=O)(=O)C |
| InChIKey | ZIMCLCZANGOZDU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
对二甲苯-α,二甲基磺酸酯 (CAS 1953-55-5), with molecular formula C10H14O6S2 and molecular weight 294.02 g/mol. IUPAC: [4-(methylsulfonyloxymethyl)phenyl]methyl methanesulfonate.
Chemical Property Profile of 对二甲苯-α,二甲基磺酸酯
Property Insights of 对二甲苯-α,二甲基磺酸酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 对二甲苯-α,二甲基磺酸酯. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 对二甲苯-α,二甲基磺酸酯. Following Lipinski's Rule of Five, 对二甲苯-α,二甲基磺酸酯 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 对二甲苯-α,二甲基磺酸酯?
The CAS number of 对二甲苯-α,二甲基磺酸酯 is 1953-55-5.
What is the molecular formula of 对二甲苯-α,二甲基磺酸酯?
The molecular formula of 对二甲苯-α,二甲基磺酸酯 is C10H14O6S2.
What is the molecular weight of 对二甲苯-α,二甲基磺酸酯?
The molecular weight of 对二甲苯-α,二甲基磺酸酯 is 294.02 g/mol.
Where can I buy 对二甲苯-α,二甲基磺酸酯?
You can request a quote for 对二甲苯-α,二甲基磺酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 对二甲苯-α,二甲基磺酸酯?
Yes, KEHONG BIO provides custom synthesis services for 对二甲苯-α,二甲基磺酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.