Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester
TL;DR: Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester (CAS 26401-84-3) is a chemical compound with molecular formula C34H70O2SSn and molecular weight 662.41 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-trioctylstannylsulfanylacetate
Also Known As: Isooctyl ((trioctylstannyl)thio)acetate, Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester, 6-methylheptyl 2-trioctylstannylsulfanylacetate, Acetic acid,[(trioctylstannyl)thio]-, isooctyl ester (8CI,9CI), RefChem:1075545
| Molecular Formula | C34H70O2SSn |
|---|---|
| Molecular Weight | 662.41 g/mol |
| LogP | 12.5062 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 31 |
| Exact Mass | 662.41187 |
| Heavy Atoms | 38 |
| Complexity | 456.0 |
Chemical Identifiers
| CAS Number | 26401-84-3 |
|---|---|
| SMILES | CCCCCCCC[Sn](CCCCCCCC)(CCCCCCCC)SCC(=O)OCCCCCC(C)C |
| InChIKey | RVRHJEQVRABJHQ-UHFFFAOYSA-M |
Product Overview
Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester (CAS 26401-84-3), with molecular formula C34H70O2SSn and molecular weight 662.41 g/mol. IUPAC: 6-methylheptyl 2-trioctylstannylsulfanylacetate.
Chemical Property Profile of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester
Property Insights of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester
The XLogP value of 12.5062 indicates that Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.6 Ų, Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester 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 Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester?
The CAS number of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester is 26401-84-3.
What is the molecular formula of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester?
The molecular formula of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester is C34H70O2SSn.
What is the molecular weight of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester?
The molecular weight of Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester is 662.41 g/mol.
Where can I buy Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester?
You can request a quote for Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((trioctylstannyl)thio)-, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.