硫代辛酸己酯
TL;DR: 硫代辛酸己酯 (CAS 55590-85-7) is a chemical compound with molecular formula C14H28OS and molecular weight 244.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫代辛酸己酯
S-hexyl octanethioate
Also Known As: S-Hexyloctanethioate, S-Hexyl octanethioate, Octanethioic acid, hexyl ester, S-Hexyl octanethioate #, OctanethioicacidS-hexylester
| Molecular Formula | C14H28OS |
|---|---|
| Molecular Weight | 244.19 g/mol |
| LogP | 6.0 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 244.18608 |
| Heavy Atoms | 16 |
| Complexity | 157.0 |
Chemical Identifiers
| CAS Number | 55590-85-7 |
|---|---|
| SMILES | CCCCCCCC(=O)SCCCCCC |
| InChIKey | ARKGQSZBBOGCSX-UHFFFAOYSA-N |
Product Overview
硫代辛酸己酯 (CAS 55590-85-7), with molecular formula C14H28OS and molecular weight 244.19 g/mol. IUPAC: S-hexyl octanethioate.
Chemical Property Profile of 硫代辛酸己酯
Property Insights of 硫代辛酸己酯
The XLogP value of 6.0 indicates that 硫代辛酸己酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 硫代辛酸己酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 硫代辛酸己酯 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 硫代辛酸己酯?
The CAS number of 硫代辛酸己酯 is 55590-85-7.
What is the molecular formula of 硫代辛酸己酯?
The molecular formula of 硫代辛酸己酯 is C14H28OS.
What is the molecular weight of 硫代辛酸己酯?
The molecular weight of 硫代辛酸己酯 is 244.19 g/mol.
Where can I buy 硫代辛酸己酯?
You can request a quote for 硫代辛酸己酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫代辛酸己酯?
Yes, KEHONG BIO provides custom synthesis services for 硫代辛酸己酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.