1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate
TL;DR: 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate (CAS 64253-30-1) is a chemical compound with molecular formula C38H74O7S2 and molecular weight 706.49 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate
Also Known As: Wingstay SN 1, Propanoic acid, 3-(dodecylthio)-, oxybis(2,1-ethanediyloxy-2,1-ethanediyl) ester, 1,11-(3,6,9-TRIOXAUNDECYL) BIS-3-(DODECYLTHIO) PROPRIONATE, 1,11-(3,6,9-TRIOXAUNDECYL) BIS-3- (DODECYLTHIO) PROPRIONATE, Oxybis(ethane-2,1-diyloxyethane-2,1-diyl) bis(3-(dodecylthio)propionate)
| Molecular Formula | C38H74O7S2 |
|---|---|
| Molecular Weight | 706.49 g/mol |
| LogP | 11.9 |
| Topological Polar Surface Area | 131.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 42 |
| Exact Mass | 706.4876 |
| Heavy Atoms | 47 |
| Complexity | 587.0 |
Chemical Identifiers
| CAS Number | 64253-30-1 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCC(=O)OCCOCCOCCOCCOC(=O)CCSCCCCCCCCCCCC |
| InChIKey | NMWLFOFCBZILSO-UHFFFAOYSA-N |
Product Overview
1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate (CAS 64253-30-1), with molecular formula C38H74O7S2 and molecular weight 706.49 g/mol. IUPAC: 2-[2-[2-[2-(3-dodecylsulfanylpropanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 3-dodecylsulfanylpropanoate.
Chemical Property Profile of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate
Property Insights of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate
The XLogP value of 11.9 indicates that 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 131.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate. Following Lipinski's Rule of Five, 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate?
The CAS number of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate is 64253-30-1.
What is the molecular formula of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate?
The molecular formula of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate is C38H74O7S2.
What is the molecular weight of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate?
The molecular weight of 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate is 706.49 g/mol.
Where can I buy 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate?
You can request a quote for 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate?
Yes, KEHONG BIO provides custom synthesis services for 1,11-(3,6,9-Trioxaundecyl) bis-3-(dodecylthio) proprionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.