Di-n-octyltin ethyleneglycol bis(mercaptoacetate)
TL;DR: Di-n-octyltin ethyleneglycol bis(mercaptoacetate) (CAS 69226-44-4) is a chemical compound with molecular formula C22H42O4S2Sn and molecular weight 554.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione
Also Known As: Ethylenebisthioglycolate dioctyltin, EINECS 273-920-5, EINECS 260-414-4, Di-n-octyl-zinn aethylenglykol-dithioglykolat, Di-n-octyltin ethyleneglycol bis(mercaptoacetate)
| Molecular Formula | C22H42O4S2Sn |
|---|---|
| Molecular Weight | 554.15 g/mol |
| LogP | 6.716 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 554.15466 |
| Heavy Atoms | 29 |
| Complexity | 408.5282 |
Chemical Identifiers
| CAS Number | 69226-44-4 |
|---|---|
| SMILES | CCCCCCCC[Sn]1(SCC(=O)OCCOC(=O)CS1)CCCCCCCC |
Product Overview
Di-n-octyltin ethyleneglycol bis(mercaptoacetate) (CAS 69226-44-4), with molecular formula C22H42O4S2Sn and molecular weight 554.15 g/mol. IUPAC: 5,5-dioctyl-1,9-dioxa-4,6-dithia-5-stannacycloundecane-2,8-dione.
Chemical Property Profile of Di-n-octyltin ethyleneglycol bis(mercaptoacetate)
Property Insights of Di-n-octyltin ethyleneglycol bis(mercaptoacetate)
The XLogP value of 6.716 indicates that Di-n-octyltin ethyleneglycol bis(mercaptoacetate) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Di-n-octyltin ethyleneglycol bis(mercaptoacetate) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-n-octyltin ethyleneglycol bis(mercaptoacetate) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Di-n-octyltin ethyleneglycol bis(mercaptoacetate)?
The CAS number of Di-n-octyltin ethyleneglycol bis(mercaptoacetate) is 69226-44-4.
What is the molecular formula of Di-n-octyltin ethyleneglycol bis(mercaptoacetate)?
The molecular formula of Di-n-octyltin ethyleneglycol bis(mercaptoacetate) is C22H42O4S2Sn.
What is the molecular weight of Di-n-octyltin ethyleneglycol bis(mercaptoacetate)?
The molecular weight of Di-n-octyltin ethyleneglycol bis(mercaptoacetate) is 554.15 g/mol.
Where can I buy Di-n-octyltin ethyleneglycol bis(mercaptoacetate)?
You can request a quote for Di-n-octyltin ethyleneglycol bis(mercaptoacetate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-n-octyltin ethyleneglycol bis(mercaptoacetate)?
Yes, KEHONG BIO provides custom synthesis services for Di-n-octyltin ethyleneglycol bis(mercaptoacetate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.