![2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate structure](/static/products/310/31044-87-8.png)
2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate
TL;DR: 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate (CAS 31044-87-8) is a chemical compound with molecular formula C17H20O6S2 and molecular weight 384.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(benzenesulfonyloxy)-2,2-dimethylpropyl] benzenesulfonate
Also Known As: 2,2-Dimethylpropane-1,3-diyldibenzenesulfonate, 2,2-dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate, [3-(benzenesulfonyloxy)-2,2-dimethyl-propoxy]sulfonylbenzene, [3-(benzenesulfonyloxy)-2,2-dimethylpropyl] benzenesulfonate
| Molecular Formula | C17H20O6S2 |
|---|---|
| Molecular Weight | 384.07 g/mol |
| LogP | 2.8236 |
| Topological Polar Surface Area | 86.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 384.07013 |
| Heavy Atoms | 25 |
| Complexity | 813.16895 |
Chemical Identifiers
| CAS Number | 31044-87-8 |
|---|---|
| SMILES | CC(C)(COS(=O)(=O)C1=CC=CC=C1)COS(=O)(=O)C2=CC=CC=C2 |
Product Overview
2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate (CAS 31044-87-8), with molecular formula C17H20O6S2 and molecular weight 384.07 g/mol. IUPAC: [3-(benzenesulfonyloxy)-2,2-dimethylpropyl] benzenesulfonate.
Chemical Property Profile of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate
Property Insights of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate
The XLogP value of 2.8236 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate. The TPSA of 86.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate. Following Lipinski's Rule of Five, 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate 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 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate?
The CAS number of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate is 31044-87-8.
What is the molecular formula of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate?
The molecular formula of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate is C17H20O6S2.
What is the molecular weight of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate?
The molecular weight of 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate is 384.07 g/mol.
Where can I buy 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate?
You can request a quote for 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-3-[(phenylsulfonyl)oxy]propyl benzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.