Butanoic acid, 4,4'-thiobis-, dioctadecyl ester
TL;DR: Butanoic acid, 4,4'-thiobis-, dioctadecyl ester (CAS 3895-83-8) is a chemical compound with molecular formula C44H86O4S and molecular weight 710.62 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octadecyl 4-(4-octadecoxy-4-oxobutyl)sulfanylbutanoate
Also Known As: 4,4'-Thiobisbutyricaciddioctadecylester, Butyric acid, 4,4'-thiodi-, dioctadecyl ester, Dioctadecyl 4,4'-sulfanediyldibutanoate, Butanoic acid, 4,4'-thiobis-, dioctadecyl ester, Butyric acid,4,4'-thiodi-,dioctadecyl ester
| Molecular Formula | C44H86O4S |
|---|---|
| Molecular Weight | 710.62 g/mol |
| LogP | 18.9 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 44 |
| Exact Mass | 710.6247 |
| Heavy Atoms | 49 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 3895-83-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCOC(=O)CCCSCCCC(=O)OCCCCCCCCCCCCCCCCCC |
| InChIKey | YVQOUDHDIAUWPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butanoic acid, 4,4'-thiobis-, dioctadecyl ester (CAS 3895-83-8), with molecular formula C44H86O4S and molecular weight 710.62 g/mol. IUPAC: octadecyl 4-(4-octadecoxy-4-oxobutyl)sulfanylbutanoate.
Chemical Property Profile of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester
Property Insights of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester
The XLogP value of 18.9 indicates that Butanoic acid, 4,4'-thiobis-, dioctadecyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 77.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Butanoic acid, 4,4'-thiobis-, dioctadecyl ester. Following Lipinski's Rule of Five, Butanoic acid, 4,4'-thiobis-, dioctadecyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester?
The CAS number of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester is 3895-83-8.
What is the molecular formula of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester?
The molecular formula of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester is C44H86O4S.
What is the molecular weight of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester?
The molecular weight of Butanoic acid, 4,4'-thiobis-, dioctadecyl ester is 710.62 g/mol.
Where can I buy Butanoic acid, 4,4'-thiobis-, dioctadecyl ester?
You can request a quote for Butanoic acid, 4,4'-thiobis-, dioctadecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butanoic acid, 4,4'-thiobis-, dioctadecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butanoic acid, 4,4'-thiobis-, dioctadecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.