Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate
TL;DR: Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate (CAS 67810-22-4) is a chemical compound with molecular formula C46H82O8S2 and molecular weight 826.55 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate
Also Known As: bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate, 1, bis[3-(hexadecylsulfinyl)-2-hydroxypropyl] ester, bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarbo, Bis[3-(hexadecane-1-sulfinyl)-2-hydroxypropyl] benzene-1,4-dicarboxylate
| Molecular Formula | C46H82O8S2 |
|---|---|
| Molecular Weight | 826.55 g/mol |
| LogP | 13.9 |
| Topological Polar Surface Area | 166.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 42 |
| Exact Mass | 826.5451 |
| Heavy Atoms | 56 |
| Complexity | 895.0 |
Chemical Identifiers
| CAS Number | 67810-22-4 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCS(=O)CC(COC(=O)C1=CC=C(C=C1)C(=O)OCC(CS(=O)CCCCCCCCCCCCCCCC)O)O |
| InChIKey | OTZSCKUOUVZSPI-UHFFFAOYSA-N |
Product Overview
Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate (CAS 67810-22-4), with molecular formula C46H82O8S2 and molecular weight 826.55 g/mol. IUPAC: bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate.
Chemical Property Profile of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate
Property Insights of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate
The XLogP value of 13.9 indicates that Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 166.0 Ų indicates high polarity, suggesting Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate has 2 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate?
The CAS number of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate is 67810-22-4.
What is the molecular formula of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate?
The molecular formula of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate is C46H82O8S2.
What is the molecular weight of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate?
The molecular weight of Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate is 826.55 g/mol.
Where can I buy Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate?
You can request a quote for Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Bis(3-hexadecylsulfinyl-2-hydroxypropyl) benzene-1,4-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.