Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester
TL;DR: Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester (CAS 54849-39-7) is a chemical compound with molecular formula C13H28O2SSn and molecular weight 368.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methylheptyl 2-trimethylstannylsulfanylacetate
Also Known As: Trimethyltin isooctylmercaptoacetate, Isooctyl[(trimethylstannyl)thio]acetate, Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester, Isooctyl ((trimethylstannyl)thio)acetate, 6-methylheptyl 2-trimethylstannylsulfanylacetate
| Molecular Formula | C13H28O2SSn |
|---|---|
| Molecular Weight | 368.08 g/mol |
| LogP | 4.3141 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 368.0832 |
| Heavy Atoms | 17 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 54849-39-7 |
|---|---|
| SMILES | CC(C)CCCCCOC(=O)CS[Sn](C)(C)C |
| InChIKey | OYLOJAUHESQAGW-UHFFFAOYSA-M |
Product Overview
Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester (CAS 54849-39-7), with molecular formula C13H28O2SSn and molecular weight 368.08 g/mol. IUPAC: 6-methylheptyl 2-trimethylstannylsulfanylacetate.
Chemical Property Profile of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester
Property Insights of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester
The XLogP value of 4.3141 indicates that Acetic acid, ((trimethylstannyl)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, ((trimethylstannyl)thio)-, isooctyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester?
The CAS number of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester is 54849-39-7.
What is the molecular formula of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester?
The molecular formula of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester is C13H28O2SSn.
What is the molecular weight of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester?
The molecular weight of Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester is 368.08 g/mol.
Where can I buy Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester?
You can request a quote for Acetic acid, ((trimethylstannyl)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, ((trimethylstannyl)thio)-, isooctyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, ((trimethylstannyl)thio)-, isooctyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.