2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium
TL;DR: 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium (CAS 67030-59-5) is a chemical compound with molecular formula C22H46O2SSn and molecular weight 494.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(6-methylheptoxy)-2-oxoethanethiolate;tributylstannanylium
Also Known As: Isooctyl ((tributylstannyl)thio)acetate, tributylstannanylium 2-[(6-methylheptyl)oxy]-2-oxoethanethiolate, 2-(6-methylheptoxy)-2-oxoethanethiolate; tributylstannanylium, Aceticacid, 2-[(tributylstannyl)thio]-, 6-methylheptyl ester
| Molecular Formula | C22H46O2SSn |
|---|---|
| Molecular Weight | 494.22 g/mol |
| LogP | 7.1744 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 16 |
| Exact Mass | 494.22406 |
| Heavy Atoms | 26 |
| Complexity | 266.29626 |
Chemical Identifiers
| CAS Number | 67030-59-5 |
|---|---|
| SMILES | CCCC[Sn+](CCCC)CCCC.CC(C)CCCCCOC(=O)C[S-] |
Product Overview
2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium (CAS 67030-59-5), with molecular formula C22H46O2SSn and molecular weight 494.22 g/mol. IUPAC: 2-(6-methylheptoxy)-2-oxoethanethiolate;tributylstannanylium.
Chemical Property Profile of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium
Property Insights of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium
The XLogP value of 7.1744 indicates that 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium?
The CAS number of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium is 67030-59-5.
What is the molecular formula of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium?
The molecular formula of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium is C22H46O2SSn.
What is the molecular weight of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium?
The molecular weight of 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium is 494.22 g/mol.
Where can I buy 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium?
You can request a quote for 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium?
Yes, KEHONG BIO provides custom synthesis services for 2-(6-Methylheptoxy)-2-oxoethanethiolate;tributylstannanylium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.