RefChem:869378
TL;DR: RefChem:869378 (CAS 71982-66-6) is a chemical compound with molecular formula C56H94O4S3 and molecular weight 926.63 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-2-methyl-4-(3-tetradecylsulfanylpropanoyloxy)phenyl]sulfanyl-5-methylphenyl] 3-tetradecylsulfanylpropanoate
Also Known As: Propanoic acid, 3-(tetradecylthio)-, thiobis[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene] ester, thiobis[2- -5-methyl-4,1-phenylene]bis[3- propionate], Propanoic acid, 3-(tetradecylthio)-, 1,1'-(thiobis(2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene)) ester, Thiobis(2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene) bis(3-(tetradecylthio)propionate), Thiobis[2-(1,1-dimethylethyl)-5-methyl-4,1-phenylene] bis[3-(tetradecylthio)propionate]
| Molecular Formula | C56H94O4S3 |
|---|---|
| Molecular Weight | 926.63 g/mol |
| LogP | 22.1 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 40 |
| Exact Mass | 926.6314 |
| Heavy Atoms | 63 |
| Complexity | 1050.0 |
Chemical Identifiers
| CAS Number | 71982-66-6 |
|---|---|
| SMILES | CCCCCCCCCCCCCCSCCC(=O)OC1=C(C=C(C(=C1)C)SC2=CC(=C(C=C2C)OC(=O)CCSCCCCCCCCCCCCCC)C(C)(C)C)C(C)(C)C |
| InChIKey | NYKTUMJYBAPMSS-UHFFFAOYSA-N |
Product Overview
RefChem:869378 (CAS 71982-66-6), with molecular formula C56H94O4S3 and molecular weight 926.63 g/mol. IUPAC: [2-tert-butyl-4-[5-tert-butyl-2-methyl-4-(3-tetradecylsulfanylpropanoyloxy)phenyl]sulfanyl-5-methylphenyl] 3-tetradecylsulfanylpropanoate.
Chemical Property Profile of RefChem:869378
Property Insights of RefChem:869378
The XLogP value of 22.1 indicates that RefChem:869378 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:869378. Following Lipinski's Rule of Five, RefChem:869378 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:869378?
The CAS number of RefChem:869378 is 71982-66-6.
What is the molecular formula of RefChem:869378?
The molecular formula of RefChem:869378 is C56H94O4S3.
What is the molecular weight of RefChem:869378?
The molecular weight of RefChem:869378 is 926.63 g/mol.
Where can I buy RefChem:869378?
You can request a quote for RefChem:869378 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:869378?
Yes, KEHONG BIO provides custom synthesis services for RefChem:869378 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.