Sulfanediyldiethane-2,1-diyl dihexanoate
TL;DR: Sulfanediyldiethane-2,1-diyl dihexanoate (CAS 4275-29-0) 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.
2-(2-hexanoyloxyethylsulfanyl)ethyl hexanoate
Also Known As: Thiodiglycoldicaproat, sulfanediyldiethane-2,1-diyl dihexanoate, 2-(2-hexanoyloxyethylsulfanyl)ethyl hexanoate, Sulfanediyldi(ethane-2,1-diyl) dihexanoate
| Molecular Formula | C16H30O4S |
|---|---|
| Molecular Weight | 318.19 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 16 |
| Exact Mass | 318.1865 |
| Heavy Atoms | 21 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 4275-29-0 |
|---|---|
| SMILES | CCCCCC(=O)OCCSCCOC(=O)CCCCC |
| InChIKey | UIDRKZGBUGGCMC-UHFFFAOYSA-N |
Product Overview
Sulfanediyldiethane-2,1-diyl dihexanoate (CAS 4275-29-0), with molecular formula C16H30O4S and molecular weight 318.19 g/mol. IUPAC: 2-(2-hexanoyloxyethylsulfanyl)ethyl hexanoate.
Chemical Property Profile of Sulfanediyldiethane-2,1-diyl dihexanoate
Property Insights of Sulfanediyldiethane-2,1-diyl dihexanoate
The XLogP value of 4.5 indicates that Sulfanediyldiethane-2,1-diyl dihexanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Sulfanediyldiethane-2,1-diyl dihexanoate. Following Lipinski's Rule of Five, Sulfanediyldiethane-2,1-diyl dihexanoate 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 Sulfanediyldiethane-2,1-diyl dihexanoate?
The CAS number of Sulfanediyldiethane-2,1-diyl dihexanoate is 4275-29-0.
What is the molecular formula of Sulfanediyldiethane-2,1-diyl dihexanoate?
The molecular formula of Sulfanediyldiethane-2,1-diyl dihexanoate is C16H30O4S.
What is the molecular weight of Sulfanediyldiethane-2,1-diyl dihexanoate?
The molecular weight of Sulfanediyldiethane-2,1-diyl dihexanoate is 318.19 g/mol.
Where can I buy Sulfanediyldiethane-2,1-diyl dihexanoate?
You can request a quote for Sulfanediyldiethane-2,1-diyl dihexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sulfanediyldiethane-2,1-diyl dihexanoate?
Yes, KEHONG BIO provides custom synthesis services for Sulfanediyldiethane-2,1-diyl dihexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.