2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate
TL;DR: 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate (CAS 93803-45-3) is a chemical compound with molecular formula C16H30O4S and molecular weight 318.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate
Also Known As: EINECS 298-316-9, 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate, 2-ETHYLHEXYL [(2-BUTOXY-2-OXOETHYL)THIO]ACETATE, Butyl 2-ethylhexyl 2,2'-sulfanediyldiacetate, butyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate
| Molecular Formula | C16H30O4S |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 3.8225 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 318.1865 |
| Heavy Atoms | 21 |
| Complexity | 281.45053 |
Chemical Identifiers
| CAS Number | 93803-45-3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)CSCC(=O)OCCCC |
Product Overview
2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate (CAS 93803-45-3), with molecular formula C16H30O4S and molecular weight 318.19 g/mol. IUPAC: butyl 2-[2-(2-ethylhexoxy)-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate
Property Insights of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate
The XLogP value of 3.8225 indicates that 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate has 0 hydrogen bond donor(s) and 5 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 ((2-butoxy-2-oxoethyl)thio)acetate?
The CAS number of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate is 93803-45-3.
What is the molecular formula of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate?
The molecular formula of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate is C16H30O4S.
What is the molecular weight of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate?
The molecular weight of 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate is 318.19 g/mol.
Where can I buy 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate?
You can request a quote for 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylhexyl ((2-butoxy-2-oxoethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.