Dicetyl Thiodipropionate
TL;DR: Dicetyl Thiodipropionate (CAS 3287-12-5) is a chemical compound with molecular formula C38H74O4S and molecular weight 626.53 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexadecyl 3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoate
Also Known As: Dicetyl thiodipropionate, Propanoic acid, 3,3'-thiobis-, dihexadecyl ester, DIHEXADECYL THIODIPROPIONATE, Dihexadecyl 3,3'-thiobispropionate, dihexadecyl3,3'-thiobispropionate
| Molecular Formula | C38H74O4S |
|---|---|
| Molecular Weight | 626.53 g/mol |
| LogP | 16.0 |
| Topological Polar Surface Area | 77.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 38 |
| Exact Mass | 626.53076 |
| Heavy Atoms | 43 |
| Complexity | 520.0 |
Chemical Identifiers
| CAS Number | 3287-12-5 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCOC(=O)CCSCCC(=O)OCCCCCCCCCCCCCCCC |
| InChIKey | IXDBUVCZCLQKJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dicetyl Thiodipropionate (CAS 3287-12-5), with molecular formula C38H74O4S and molecular weight 626.53 g/mol. IUPAC: hexadecyl 3-(3-hexadecoxy-3-oxopropyl)sulfanylpropanoate.
Chemical Property Profile of Dicetyl Thiodipropionate
Property Insights of Dicetyl Thiodipropionate
The XLogP value of 16.0 indicates that Dicetyl Thiodipropionate 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 Dicetyl Thiodipropionate. Following Lipinski's Rule of Five, Dicetyl Thiodipropionate 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 Dicetyl Thiodipropionate?
The CAS number of Dicetyl Thiodipropionate is 3287-12-5.
What is the molecular formula of Dicetyl Thiodipropionate?
The molecular formula of Dicetyl Thiodipropionate is C38H74O4S.
What is the molecular weight of Dicetyl Thiodipropionate?
The molecular weight of Dicetyl Thiodipropionate is 626.53 g/mol.
Where can I buy Dicetyl Thiodipropionate?
You can request a quote for Dicetyl Thiodipropionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dicetyl Thiodipropionate?
Yes, KEHONG BIO provides custom synthesis services for Dicetyl Thiodipropionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.