Neopentanetetrayl 3-(dodecylthio)propionate
TL;DR: Neopentanetetrayl 3-(dodecylthio)propionate (CAS 29598-76-3) is a chemical compound with molecular formula C65H124O8S4 and molecular weight 1160.82 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(3-dodecylsulfanylpropanoyloxy)-2,2-bis(3-dodecylsulfanylpropanoyloxymethyl)propyl] 3-dodecylsulfanylpropanoate
Also Known As: Sumilizer TP-D, Antioxidant 412S, 5-Bromoisophthalicacid, ADK STAB AO 412S, AO 412S
| Molecular Formula | C65H124O8S4 |
|---|---|
| Molecular Weight | 1160.82 g/mol |
| LogP | 24.6 |
| Topological Polar Surface Area | 206.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 68 |
| Exact Mass | 1160.8179 |
| Heavy Atoms | 77 |
| Complexity | 1080.0 |
Chemical Identifiers
| CAS Number | 29598-76-3 |
|---|---|
| SMILES | CCCCCCCCCCCCSCCC(=O)OCC(COC(=O)CCSCCCCCCCCCCCC)(COC(=O)CCSCCCCCCCCCCCC)COC(=O)CCSCCCCCCCCCCCC |
| InChIKey | VSVVZZQIUJXYQA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Neopentanetetrayl 3-(dodecylthio)propionate (CAS 29598-76-3), with molecular formula C65H124O8S4 and molecular weight 1160.82 g/mol. IUPAC: [3-(3-dodecylsulfanylpropanoyloxy)-2,2-bis(3-dodecylsulfanylpropanoyloxymethyl)propyl] 3-dodecylsulfanylpropanoate.
Chemical Property Profile of Neopentanetetrayl 3-(dodecylthio)propionate
Property Insights of Neopentanetetrayl 3-(dodecylthio)propionate
The XLogP value of 24.6 indicates that Neopentanetetrayl 3-(dodecylthio)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 206.0 Ų indicates high polarity, suggesting Neopentanetetrayl 3-(dodecylthio)propionate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neopentanetetrayl 3-(dodecylthio)propionate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neopentanetetrayl 3-(dodecylthio)propionate?
The CAS number of Neopentanetetrayl 3-(dodecylthio)propionate is 29598-76-3.
What is the molecular formula of Neopentanetetrayl 3-(dodecylthio)propionate?
The molecular formula of Neopentanetetrayl 3-(dodecylthio)propionate is C65H124O8S4.
What is the molecular weight of Neopentanetetrayl 3-(dodecylthio)propionate?
The molecular weight of Neopentanetetrayl 3-(dodecylthio)propionate is 1160.82 g/mol.
Where can I buy Neopentanetetrayl 3-(dodecylthio)propionate?
You can request a quote for Neopentanetetrayl 3-(dodecylthio)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neopentanetetrayl 3-(dodecylthio)propionate?
Yes, KEHONG BIO provides custom synthesis services for Neopentanetetrayl 3-(dodecylthio)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.