Glutaryl probucol
TL;DR: Glutaryl probucol (CAS 216167-94-1) is a chemical compound with molecular formula C36H54O5S2 and molecular weight 630.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-5-oxopentanoic acid
Also Known As: Glutaryl probucol, J1.165.445B, 1-[4-[[1-[[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl] pentanedioate, 5-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-5-oxopentanoic acid, Glutaric acid 1-[2,6-di-tert-butyl-4-[1-(3,5-di-tert-butyl-4-hydroxyphenylthio)-1-methylethylthio]phenyl] ester
| Molecular Formula | C36H54O5S2 |
|---|---|
| Molecular Weight | 630.34 g/mol |
| LogP | 10.363 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 630.34125 |
| Heavy Atoms | 43 |
| Complexity | 1259.3557 |
Chemical Identifiers
| CAS Number | 216167-94-1 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCCC(=O)O)C(C)(C)C |
Product Overview
Glutaryl probucol (CAS 216167-94-1), with molecular formula C36H54O5S2 and molecular weight 630.34 g/mol. IUPAC: 5-[2,6-ditert-butyl-4-[2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylpropan-2-ylsulfanyl]phenoxy]-5-oxopentanoic acid.
Chemical Property Profile of Glutaryl probucol
Property Insights of Glutaryl probucol
The XLogP value of 10.363 indicates that Glutaryl probucol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Glutaryl probucol. Following Lipinski's Rule of Five, Glutaryl probucol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glutaryl probucol?
The CAS number of Glutaryl probucol is 216167-94-1.
What is the molecular formula of Glutaryl probucol?
The molecular formula of Glutaryl probucol is C36H54O5S2.
What is the molecular weight of Glutaryl probucol?
The molecular weight of Glutaryl probucol is 630.34 g/mol.
Where can I buy Glutaryl probucol?
You can request a quote for Glutaryl probucol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glutaryl probucol?
Yes, KEHONG BIO provides custom synthesis services for Glutaryl probucol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.