S-(2-dodecanoylsulfanylethyl) dodecanethioate
TL;DR: S-(2-dodecanoylsulfanylethyl) dodecanethioate (CAS 4222-51-9) is a chemical compound with molecular formula C26H50O2S2 and molecular weight 458.33 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(2-dodecanoylsulfanylethyl) dodecanethioate
Also Known As: S-(2-dodecanoylsulfanylethyl) dodecanethioate, S,S'-ethane-1,2-diyl didodecanethioate, RefChem:379409
| Molecular Formula | C26H50O2S2 |
|---|---|
| Molecular Weight | 458.33 g/mol |
| LogP | 11.4 |
| Topological Polar Surface Area | 84.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 25 |
| Exact Mass | 458.32523 |
| Heavy Atoms | 30 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 4222-51-9 |
|---|---|
| SMILES | CCCCCCCCCCCC(=O)SCCSC(=O)CCCCCCCCCCC |
| InChIKey | VAMWNZKWGJHGKN-UHFFFAOYSA-N |
Product Overview
S-(2-dodecanoylsulfanylethyl) dodecanethioate (CAS 4222-51-9), with molecular formula C26H50O2S2 and molecular weight 458.33 g/mol. IUPAC: S-(2-dodecanoylsulfanylethyl) dodecanethioate.
Chemical Property Profile of S-(2-dodecanoylsulfanylethyl) dodecanethioate
Property Insights of S-(2-dodecanoylsulfanylethyl) dodecanethioate
The XLogP value of 11.4 indicates that S-(2-dodecanoylsulfanylethyl) dodecanethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.7 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(2-dodecanoylsulfanylethyl) dodecanethioate. Following Lipinski's Rule of Five, S-(2-dodecanoylsulfanylethyl) dodecanethioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(2-dodecanoylsulfanylethyl) dodecanethioate?
The CAS number of S-(2-dodecanoylsulfanylethyl) dodecanethioate is 4222-51-9.
What is the molecular formula of S-(2-dodecanoylsulfanylethyl) dodecanethioate?
The molecular formula of S-(2-dodecanoylsulfanylethyl) dodecanethioate is C26H50O2S2.
What is the molecular weight of S-(2-dodecanoylsulfanylethyl) dodecanethioate?
The molecular weight of S-(2-dodecanoylsulfanylethyl) dodecanethioate is 458.33 g/mol.
Where can I buy S-(2-dodecanoylsulfanylethyl) dodecanethioate?
You can request a quote for S-(2-dodecanoylsulfanylethyl) dodecanethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(2-dodecanoylsulfanylethyl) dodecanethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(2-dodecanoylsulfanylethyl) dodecanethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.