3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate
TL;DR: 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate (CAS 7153-39-1) is a chemical compound with molecular formula C57H112O4S and molecular weight 892.83 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-octadecanoyloxy-3-octadecylsulfanylpropyl) octadecanoate
Also Known As: 3-(octadecylsulfanyl)propane-1,2-diyl dioctadecanoate, (2-octadecanoyloxy-3-octadecylsulfanylpropyl) octadecanoate
| Molecular Formula | C57H112O4S |
|---|---|
| Molecular Weight | 892.83 g/mol |
| LogP | 26.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 56 |
| Exact Mass | 892.8281 |
| Heavy Atoms | 62 |
| Complexity | 864.0 |
Chemical Identifiers
| CAS Number | 7153-39-1 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCCC |
| InChIKey | ZHJOMEMZRNYKNK-UHFFFAOYSA-N |
Product Overview
3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate (CAS 7153-39-1), with molecular formula C57H112O4S and molecular weight 892.83 g/mol. IUPAC: (2-octadecanoyloxy-3-octadecylsulfanylpropyl) octadecanoate.
Chemical Property Profile of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate
Property Insights of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate
The XLogP value of 26.4 indicates that 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate 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 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate. Following Lipinski's Rule of Five, 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate 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 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate?
The CAS number of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate is 7153-39-1.
What is the molecular formula of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate?
The molecular formula of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate is C57H112O4S.
What is the molecular weight of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate?
The molecular weight of 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate is 892.83 g/mol.
Where can I buy 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate?
You can request a quote for 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Octadecylsulfanyl)propane-1,2-diyl dioctadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.