RefChem:869368
TL;DR: RefChem:869368 (CAS 66534-05-2) is a chemical compound with molecular formula C52H86O4S3 and molecular weight 870.57 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-tert-butyl-4-[5-tert-butyl-4-(3-dodecylsulfanylpropanoyloxy)-2-methylphenyl]sulfanyl-5-methylphenyl] 3-dodecylsulfanylpropanoate
Also Known As: 4,4'-Thiobis(2-tert-butyl-5-methylphenol) bis(3-(dodecylthio)propionate), Thiobis(2-tert-butyl-5-methyl-4,1-phenylene) 3-(laurylthio)propionate, Thiobis[2-tert-butyl-5-methyl-4,1-phenylene] 3-(laurylthio)propionate, thiobis[2- -5-methyl-4,1-phenylene]bis[3- propionate], Propanoic acid, 3-(dodecylthio)-, thiobis(2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene) ester
| Molecular Formula | C52H86O4S3 |
|---|---|
| Molecular Weight | 870.57 g/mol |
| LogP | 19.9 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 36 |
| Exact Mass | 870.56885 |
| Heavy Atoms | 59 |
| Complexity | 987.0 |
Chemical Identifiers
| CAS Number | 66534-05-2 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCC(=O)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)OC(=O)CCSCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C |
| InChIKey | MILWQXYAFKWZBP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:869368 (CAS 66534-05-2), with molecular formula C52H86O4S3 and molecular weight 870.57 g/mol. IUPAC: [2-tert-butyl-4-[5-tert-butyl-4-(3-dodecylsulfanylpropanoyloxy)-2-methylphenyl]sulfanyl-5-methylphenyl] 3-dodecylsulfanylpropanoate.
Chemical Property Profile of RefChem:869368
Property Insights of RefChem:869368
The XLogP value of 19.9 indicates that RefChem:869368 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:869368. Following Lipinski's Rule of Five, RefChem:869368 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:869368?
The CAS number of RefChem:869368 is 66534-05-2.
What is the molecular formula of RefChem:869368?
The molecular formula of RefChem:869368 is C52H86O4S3.
What is the molecular weight of RefChem:869368?
The molecular weight of RefChem:869368 is 870.57 g/mol.
Where can I buy RefChem:869368?
You can request a quote for RefChem:869368 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869368?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869368 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.