Butyltin tris(isooctylmercaptoacetate)
TL;DR: Butyltin tris(isooctylmercaptoacetate) (CAS 25852-70-4) is a chemical compound with molecular formula C34H66O6S3Sn and molecular weight 786.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate
Also Known As: Butyltin tris(isooctyl mercaptoacetate), Butyltin tris(isooctylmercaptoacetate), Tin, butyl-, tris(isooctylthioglycollate), Butyltin tris(isooctyl thioglycolate), Stannane, butyltris(carboisooctoxymethylthio)-
| Molecular Formula | C34H66O6S3Sn |
|---|---|
| Molecular Weight | 786.30 g/mol |
| LogP | 10.63 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 33 |
| Exact Mass | 786.3044 |
| Heavy Atoms | 44 |
| Complexity | 653.0 |
| Solubility | less than 1 mg/mL at 72 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 25852-70-4 |
|---|---|
| SMILES | CCCCCCC(C)OC(=O)CS[Sn](CCCC)(SCC(=O)OC(C)CCCCCC)SCC(=O)OC(C)CCCCCC |
| InChIKey | BRMYOHUXFCDIHF-UHFFFAOYSA-K |
Product Overview
Butyltin tris(isooctylmercaptoacetate) (CAS 25852-70-4), with molecular formula C34H66O6S3Sn and molecular weight 786.30 g/mol. IUPAC: octan-2-yl 2-[butyl-bis[(2-octan-2-yloxy-2-oxoethyl)sulfanyl]stannyl]sulfanylacetate.
Chemical Property Profile of Butyltin tris(isooctylmercaptoacetate)
Property Insights of Butyltin tris(isooctylmercaptoacetate)
The XLogP value of 10.63 indicates that Butyltin tris(isooctylmercaptoacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 155.0 Ų indicates high polarity, suggesting Butyltin tris(isooctylmercaptoacetate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyltin tris(isooctylmercaptoacetate) has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyltin tris(isooctylmercaptoacetate)?
The CAS number of Butyltin tris(isooctylmercaptoacetate) is 25852-70-4.
What is the molecular formula of Butyltin tris(isooctylmercaptoacetate)?
The molecular formula of Butyltin tris(isooctylmercaptoacetate) is C34H66O6S3Sn.
What is the molecular weight of Butyltin tris(isooctylmercaptoacetate)?
The molecular weight of Butyltin tris(isooctylmercaptoacetate) is 786.30 g/mol.
Where can I buy Butyltin tris(isooctylmercaptoacetate)?
You can request a quote for Butyltin tris(isooctylmercaptoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyltin tris(isooctylmercaptoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Butyltin tris(isooctylmercaptoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.