bis dioctanoate
TL;DR: bis dioctanoate (CAS 24928-72-1) is a chemical compound with molecular formula C22H40N2O4S2 and molecular weight 460.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[2-(2-octanoyloxyethylamino)-2-sulfanylideneethanethioyl]amino]ethyl octanoate
Also Known As: bis dioctanoate, EINECS 246-536-0, N,N'-Bis(2-octanoyloxyethyl)dithiooxamide, Ethanedithioamide-N,N'-bis(2-octanoyloxyethyl)-, (1,2-Dithioxo-1,2-ethanediyl)bis(imino-2,1-ethanediyl) dioctanoate
| Molecular Formula | C22H40N2O4S2 |
|---|---|
| Molecular Weight | 460.24 g/mol |
| LogP | 4.6278 |
| Topological Polar Surface Area | 76.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 18 |
| Exact Mass | 460.24295 |
| Heavy Atoms | 30 |
| Complexity | 457.5292 |
Chemical Identifiers
| CAS Number | 24928-72-1 |
|---|---|
| SMILES | CCCCCCCC(=O)OCCNC(=S)C(=S)NCCOC(=O)CCCCCCC |
Product Overview
bis dioctanoate (CAS 24928-72-1), with molecular formula C22H40N2O4S2 and molecular weight 460.24 g/mol. IUPAC: 2-[[2-(2-octanoyloxyethylamino)-2-sulfanylideneethanethioyl]amino]ethyl octanoate.
Chemical Property Profile of bis dioctanoate
Property Insights of bis dioctanoate
The XLogP value of 4.6278 indicates that bis dioctanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.66 Ų falls within the moderate polarity range, balancing permeability and solubility for bis dioctanoate. Following Lipinski's Rule of Five, bis dioctanoate has 2 hydrogen bond donor(s) and 6 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 bis dioctanoate?
The CAS number of bis dioctanoate is 24928-72-1.
What is the molecular formula of bis dioctanoate?
The molecular formula of bis dioctanoate is C22H40N2O4S2.
What is the molecular weight of bis dioctanoate?
The molecular weight of bis dioctanoate is 460.24 g/mol.
Where can I buy bis dioctanoate?
You can request a quote for bis dioctanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for bis dioctanoate?
Yes, KEHONG BIO provides custom synthesis services for bis dioctanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.