![Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate structure](/static/products/1310/13103-52-1.webp)
Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
TL;DR: Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate (CAS 13103-52-1) is a chemical compound with molecular formula C36H70O4S and molecular weight 598.50 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
Also Known As: Lauryl stearyl 3,3'-thiodipropionate, lauryl stearyl thiodipropionate, Lauryl stearylthiopropionate, Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate, dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate
| Molecular Formula | C36H70O4S |
|---|---|
| Molecular Weight | 598.50 g/mol |
| LogP | 14.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 36 |
| Exact Mass | 598.4995 |
| Heavy Atoms | 41 |
| Complexity | 540.0 |
Chemical Identifiers
| CAS Number | 13103-52-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCC |
| InChIKey | RRZCFXQTVDJDGF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate (CAS 13103-52-1), with molecular formula C36H70O4S and molecular weight 598.50 g/mol. IUPAC: dodecyl 3-(3-octadecoxy-3-oxopropyl)sulfanylpropanoate.
Chemical Property Profile of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
Property Insights of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate
The XLogP value of 14.9 indicates that Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate 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 Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate. Following Lipinski's Rule of Five, Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate 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 Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate?
The CAS number of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate is 13103-52-1.
What is the molecular formula of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate?
The molecular formula of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate is C36H70O4S.
What is the molecular weight of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate?
The molecular weight of Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate is 598.50 g/mol.
Where can I buy Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate?
You can request a quote for Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate?
Yes, KEHONG BIO provides custom synthesis services for Octadecyl 3-[[3-(dodecyloxy)-3-oxopropyl]thio]propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.