2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate
TL;DR: 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate (CAS 7470-90-8) is a chemical compound with molecular formula C13H28O6S2 and molecular weight 344.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-butylsulfonyloxy-2,2-dimethylpropyl) butane-1-sulfonate
Also Known As: 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate, (3-butylsulfonyloxy-2,2-dimethylpropyl) butane-1-sulfonate
| Molecular Formula | C13H28O6S2 |
|---|---|
| Molecular Weight | 344.13 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 344.13272 |
| Heavy Atoms | 21 |
| Complexity | 424.0 |
Chemical Identifiers
| CAS Number | 7470-90-8 |
|---|---|
| SMILES | CCCCS(=O)(=O)OCC(C)(C)COS(=O)(=O)CCCC |
| InChIKey | HFEMKBFYNJIURH-UHFFFAOYSA-N |
Product Overview
2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate (CAS 7470-90-8), with molecular formula C13H28O6S2 and molecular weight 344.13 g/mol. IUPAC: (3-butylsulfonyloxy-2,2-dimethylpropyl) butane-1-sulfonate.
Chemical Property Profile of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate
Property Insights of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate. Following Lipinski's Rule of Five, 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate 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-Dimethylpropane-1,3-diyl dibutane-1-sulfonate?
The CAS number of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate is 7470-90-8.
What is the molecular formula of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate?
The molecular formula of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate is C13H28O6S2.
What is the molecular weight of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate?
The molecular weight of 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate is 344.13 g/mol.
Where can I buy 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate?
You can request a quote for 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethylpropane-1,3-diyl dibutane-1-sulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.