Butyric acid, 4,4'-thiodi-, didodecyl ester
TL;DR: Butyric acid, 4,4'-thiodi-, didodecyl ester (CAS 3288-83-3) is a chemical compound with molecular formula C32H62O4S and molecular weight 542.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl 4-(4-dodecoxy-4-oxobutyl)sulfanylbutanoate
Also Known As: Dilauryl thiodibutyrate, 4,4'-Thiobisbutyricaciddidodecylester, didodecyl 4,4'-sulfanediyldibutanoate, Butyric acid, 4,4'-thiodi-, didodecyl ester, 4,4 -Thiobisbutyric acid didodecyl ester
| Molecular Formula | C32H62O4S |
|---|---|
| Molecular Weight | 542.44 g/mol |
| LogP | 12.4 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 32 |
| Exact Mass | 542.4369 |
| Heavy Atoms | 37 |
| Complexity | 441.0 |
Chemical Identifiers
| CAS Number | 3288-83-3 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)CCCSCCCC(=O)OCCCCCCCCCCCC |
| InChIKey | PPRNRQYITYWTIS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butyric acid, 4,4'-thiodi-, didodecyl ester (CAS 3288-83-3), with molecular formula C32H62O4S and molecular weight 542.44 g/mol. IUPAC: dodecyl 4-(4-dodecoxy-4-oxobutyl)sulfanylbutanoate.
Chemical Property Profile of Butyric acid, 4,4'-thiodi-, didodecyl ester
Property Insights of Butyric acid, 4,4'-thiodi-, didodecyl ester
The XLogP value of 12.4 indicates that Butyric acid, 4,4'-thiodi-, didodecyl 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 Butyric acid, 4,4'-thiodi-, didodecyl ester. Following Lipinski's Rule of Five, Butyric acid, 4,4'-thiodi-, didodecyl 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 Butyric acid, 4,4'-thiodi-, didodecyl ester?
The CAS number of Butyric acid, 4,4'-thiodi-, didodecyl ester is 3288-83-3.
What is the molecular formula of Butyric acid, 4,4'-thiodi-, didodecyl ester?
The molecular formula of Butyric acid, 4,4'-thiodi-, didodecyl ester is C32H62O4S.
What is the molecular weight of Butyric acid, 4,4'-thiodi-, didodecyl ester?
The molecular weight of Butyric acid, 4,4'-thiodi-, didodecyl ester is 542.44 g/mol.
Where can I buy Butyric acid, 4,4'-thiodi-, didodecyl ester?
You can request a quote for Butyric acid, 4,4'-thiodi-, didodecyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyric acid, 4,4'-thiodi-, didodecyl ester?
Yes, KEHONG BIO provides custom synthesis services for Butyric acid, 4,4'-thiodi-, didodecyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.