2-Ethylhexyl prop-2-yn-1-yl sulfite
TL;DR: 2-Ethylhexyl prop-2-yn-1-yl sulfite (CAS 22767-50-6) is a chemical compound with molecular formula C11H20O3S and molecular weight 232.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylhexyl prop-2-ynyl sulfite
Also Known As: 2-ethylhexyl prop-2-yn-1-yl sulfite, 2-ethylhexyl prop-2-ynyl sulfite, Sulfurous acid, isooctyl 2-propynyl ester, Sulfurous acid, 2-ethylhexyl 2-propynyl ester, RefChem:1063081
| Molecular Formula | C11H20O3S |
|---|---|
| Molecular Weight | 232.11 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 54.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 232.11331 |
| Heavy Atoms | 15 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 22767-50-6 |
|---|---|
| SMILES | CCCCC(CC)COS(=O)OCC#C |
| InChIKey | PWQSSWNHNOURLF-UHFFFAOYSA-N |
Product Overview
2-Ethylhexyl prop-2-yn-1-yl sulfite (CAS 22767-50-6), with molecular formula C11H20O3S and molecular weight 232.11 g/mol. IUPAC: 2-ethylhexyl prop-2-ynyl sulfite.
Chemical Property Profile of 2-Ethylhexyl prop-2-yn-1-yl sulfite
Property Insights of 2-Ethylhexyl prop-2-yn-1-yl sulfite
The XLogP value of 3.4 indicates that 2-Ethylhexyl prop-2-yn-1-yl sulfite is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, 2-Ethylhexyl prop-2-yn-1-yl sulfite exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl prop-2-yn-1-yl sulfite has 0 hydrogen bond donor(s) and 4 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-Ethylhexyl prop-2-yn-1-yl sulfite?
The CAS number of 2-Ethylhexyl prop-2-yn-1-yl sulfite is 22767-50-6.
What is the molecular formula of 2-Ethylhexyl prop-2-yn-1-yl sulfite?
The molecular formula of 2-Ethylhexyl prop-2-yn-1-yl sulfite is C11H20O3S.
What is the molecular weight of 2-Ethylhexyl prop-2-yn-1-yl sulfite?
The molecular weight of 2-Ethylhexyl prop-2-yn-1-yl sulfite is 232.11 g/mol.
Where can I buy 2-Ethylhexyl prop-2-yn-1-yl sulfite?
You can request a quote for 2-Ethylhexyl prop-2-yn-1-yl sulfite directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl prop-2-yn-1-yl sulfite?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl prop-2-yn-1-yl sulfite and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.