3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate
TL;DR: 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate (CAS 92376-03-9) is a chemical compound with molecular formula C51H100O4S and molecular weight 808.73 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-hexadecanoyloxy-3-hexadecylsulfanylpropyl) hexadecanoate
Also Known As: 3-(hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate, (2-hexadecanoyloxy-3-hexadecylsulfanylpropyl) hexadecanoate
| Molecular Formula | C51H100O4S |
|---|---|
| Molecular Weight | 808.73 g/mol |
| LogP | 23.1 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 50 |
| Exact Mass | 808.73425 |
| Heavy Atoms | 56 |
| Complexity | 773.0 |
Chemical Identifiers
| CAS Number | 92376-03-9 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCSCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCC |
| InChIKey | LBYRBFXRFRZTFT-UHFFFAOYSA-N |
Product Overview
3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate (CAS 92376-03-9), with molecular formula C51H100O4S and molecular weight 808.73 g/mol. IUPAC: (2-hexadecanoyloxy-3-hexadecylsulfanylpropyl) hexadecanoate.
Chemical Property Profile of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate
Property Insights of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate
The XLogP value of 23.1 indicates that 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate 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-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate. Following Lipinski's Rule of Five, 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate 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-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate?
The CAS number of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate is 92376-03-9.
What is the molecular formula of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate?
The molecular formula of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate is C51H100O4S.
What is the molecular weight of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate?
The molecular weight of 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate is 808.73 g/mol.
Where can I buy 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate?
You can request a quote for 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexadecylsulfanyl)propane-1,2-diyl dihexadecanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.