Probucol Disuccinate
TL;DR: Probucol Disuccinate (CAS 216168-45-5) is a chemical compound with molecular formula C39H56O8S2 and molecular weight 716.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-(3-carboxypropanoyloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
Also Known As: Probucol Disuccinate, Probucol Disuccinate?, 4,4'-(((propane-2,2-diylbis(sulfanediyl))bis(2,6-di-tert-butyl-4,1-phenylene))bis(oxy))bis(4-oxobutanoic acid), Probucoldisuccinate;Probucol disuccinyl ester, 4-[2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-(3-carboxypropanoyloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid
| Molecular Formula | C39H56O8S2 |
|---|---|
| Molecular Weight | 716.34 g/mol |
| LogP | 10.0375 |
| Topological Polar Surface Area | 127.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 12 |
| Exact Mass | 716.3417 |
| Heavy Atoms | 49 |
| Complexity | 1375.6731 |
Chemical Identifiers
| CAS Number | 216168-45-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC(=CC(=C1OC(=O)CCC(=O)O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C |
Product Overview
Probucol Disuccinate (CAS 216168-45-5), with molecular formula C39H56O8S2 and molecular weight 716.34 g/mol. IUPAC: 4-[2,6-ditert-butyl-4-[2-[3,5-ditert-butyl-4-(3-carboxypropanoyloxy)phenyl]sulfanylpropan-2-ylsulfanyl]phenoxy]-4-oxobutanoic acid.
Chemical Property Profile of Probucol Disuccinate
Property Insights of Probucol Disuccinate
The XLogP value of 10.0375 indicates that Probucol Disuccinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 127.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Probucol Disuccinate. Following Lipinski's Rule of Five, Probucol Disuccinate has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Probucol Disuccinate?
The CAS number of Probucol Disuccinate is 216168-45-5.
What is the molecular formula of Probucol Disuccinate?
The molecular formula of Probucol Disuccinate is C39H56O8S2.
What is the molecular weight of Probucol Disuccinate?
The molecular weight of Probucol Disuccinate is 716.34 g/mol.
Where can I buy Probucol Disuccinate?
You can request a quote for Probucol Disuccinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Probucol Disuccinate?
Yes, KEHONG BIO provides custom synthesis services for Probucol Disuccinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.