RefChem:869317
TL;DR: RefChem:869317 (CAS 62546-75-2) is a chemical compound with molecular formula C48H78O6S2 and molecular weight 814.52 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 3-[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropoxy]-2-methyl-3-oxopropyl]sulfanylethylsulfanyl]-2-methylpropanoate
Also Known As: Bis(2,2-dimethyl-3-(3,5-di-tert-butyl-4-hydroxyphenyl)propyl) 2,9-dimethyl-4,7-dithiadecanedioate, Bis(3,5-di-tert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl) 3,3'-(1,2-ethanedylbis(thio)bis(2-methylpropionate), Propanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, 1,1'-bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) ester, Propanoic acid, 3,3'-(1,2-ethanediylbis(thio))bis(2-methyl-, bis(3-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-2,2-dimethylpropyl) ester, Propanoic acid, 3,3'-[1,2-ethanediylbis(thio)]bis[2-methyl-, 1,1'-bis[3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2,2-dimethylpropyl] ester
| Molecular Formula | C48H78O6S2 |
|---|---|
| Molecular Weight | 814.52 g/mol |
| LogP | 14.6 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 23 |
| Exact Mass | 814.524 |
| Heavy Atoms | 56 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 62546-75-2 |
|---|---|
| SMILES | CC(CSCCSCC(C)C(=O)OCC(C)(C)CC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C)C(=O)OCC(C)(C)CC2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChIKey | ZZZJYMQEUKEZGV-UHFFFAOYSA-N |
Product Overview
RefChem:869317 (CAS 62546-75-2), with molecular formula C48H78O6S2 and molecular weight 814.52 g/mol. IUPAC: [3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropyl] 3-[2-[3-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-2,2-dimethylpropoxy]-2-methyl-3-oxopropyl]sulfanylethylsulfanyl]-2-methylpropanoate.
Chemical Property Profile of RefChem:869317
Property Insights of RefChem:869317
The XLogP value of 14.6 indicates that RefChem:869317 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting RefChem:869317 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:869317 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 RefChem:869317?
The CAS number of RefChem:869317 is 62546-75-2.
What is the molecular formula of RefChem:869317?
The molecular formula of RefChem:869317 is C48H78O6S2.
What is the molecular weight of RefChem:869317?
The molecular weight of RefChem:869317 is 814.52 g/mol.
Where can I buy RefChem:869317?
You can request a quote for RefChem:869317 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869317?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869317 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.