10-Ethoxycarbonyldecanyl sulfide
TL;DR: 10-Ethoxycarbonyldecanyl sulfide (CAS 20319-07-7) is a chemical compound with molecular formula C26H50O4S and molecular weight 458.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 11-(11-ethoxy-11-oxoundecyl)sulfanylundecanoate
Also Known As: 10-Ethoxycarbonyldecanyl sulfide, Diethyl 11,11'-thiodiundecanoate, Diethyl 11,11 -thiodiundecanoate, J1.400.514E, 11,11 -Thiobisundecanoic acid diethyl ester
| Molecular Formula | C26H50O4S |
|---|---|
| Molecular Weight | 458.34 g/mol |
| LogP | 8.8 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 26 |
| Exact Mass | 458.343 |
| Heavy Atoms | 31 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 20319-07-7 |
|---|---|
| SMILES | CCOC(=O)CCCCCCCCCCSCCCCCCCCCCC(=O)OCC |
| InChIKey | UHUPLNFKCXGBAC-UHFFFAOYSA-N |
Product Overview
10-Ethoxycarbonyldecanyl sulfide (CAS 20319-07-7), with molecular formula C26H50O4S and molecular weight 458.34 g/mol. IUPAC: ethyl 11-(11-ethoxy-11-oxoundecyl)sulfanylundecanoate.
Chemical Property Profile of 10-Ethoxycarbonyldecanyl sulfide
Property Insights of 10-Ethoxycarbonyldecanyl sulfide
The XLogP value of 8.8 indicates that 10-Ethoxycarbonyldecanyl sulfide 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 10-Ethoxycarbonyldecanyl sulfide. Following Lipinski's Rule of Five, 10-Ethoxycarbonyldecanyl sulfide has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 10-Ethoxycarbonyldecanyl sulfide?
The CAS number of 10-Ethoxycarbonyldecanyl sulfide is 20319-07-7.
What is the molecular formula of 10-Ethoxycarbonyldecanyl sulfide?
The molecular formula of 10-Ethoxycarbonyldecanyl sulfide is C26H50O4S.
What is the molecular weight of 10-Ethoxycarbonyldecanyl sulfide?
The molecular weight of 10-Ethoxycarbonyldecanyl sulfide is 458.34 g/mol.
Where can I buy 10-Ethoxycarbonyldecanyl sulfide?
You can request a quote for 10-Ethoxycarbonyldecanyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 10-Ethoxycarbonyldecanyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 10-Ethoxycarbonyldecanyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.